smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786482 296332769 /nfs/dbraw/zinc/33/27/69/296332769.db2.gz OYIYAAOZUACABV-LPHOPBHVSA-N 2 3 301.478 2.760 20 0 DFADHP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)CC1 ZINC000422810946 296337360 /nfs/dbraw/zinc/33/73/60/296337360.db2.gz VAAXREKSGHJIHR-RBUKOAKNSA-N 2 3 301.478 2.888 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422895640 296352211 /nfs/dbraw/zinc/35/22/11/296352211.db2.gz WLPBVQZQQAUUFV-PKOBYXMFSA-N 2 3 319.493 2.624 20 0 DFADHP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH+](C2CC2)CC1 ZINC000423089713 296377135 /nfs/dbraw/zinc/37/71/35/296377135.db2.gz SXLFKMPOCKZMSU-OTWHNJEPSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366038 296408882 /nfs/dbraw/zinc/40/88/82/296408882.db2.gz BLRJTYMPTOIQNF-BHYGNILZSA-N 2 3 305.466 2.548 20 0 DFADHP C[C@@H]1NCC[C@H]1[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000629543828 399641909 /nfs/dbraw/zinc/64/19/09/399641909.db2.gz CKUXBBPOODCCSA-GWFLUQINSA-N 2 3 301.478 2.770 20 0 DFADHP C[C@@H]1NCC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000629543828 399641911 /nfs/dbraw/zinc/64/19/11/399641911.db2.gz CKUXBBPOODCCSA-GWFLUQINSA-N 2 3 301.478 2.770 20 0 DFADHP CC[N@H+](CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976438 146313622 /nfs/dbraw/zinc/31/36/22/146313622.db2.gz QVHQYIMVMYJOLN-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP CC[N@@H+](CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976438 146313628 /nfs/dbraw/zinc/31/36/28/146313628.db2.gz QVHQYIMVMYJOLN-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCNC2)CC1)CC1CC1 ZINC000261976438 146313629 /nfs/dbraw/zinc/31/36/29/146313629.db2.gz QVHQYIMVMYJOLN-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCNC2)CC1)CC1CC1 ZINC000261976438 146313634 /nfs/dbraw/zinc/31/36/34/146313634.db2.gz QVHQYIMVMYJOLN-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP c1cc(N2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)ccn1 ZINC000298034489 427505197 /nfs/dbraw/zinc/50/51/97/427505197.db2.gz GJSUVIBOAOJAQD-UHFFFAOYSA-N 2 3 314.477 2.514 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000360417048 428289906 /nfs/dbraw/zinc/28/99/06/428289906.db2.gz PSWPVQLRLHCTIF-APWZRJJASA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360417048 428289909 /nfs/dbraw/zinc/28/99/09/428289909.db2.gz PSWPVQLRLHCTIF-APWZRJJASA-N 2 3 303.494 2.958 20 0 DFADHP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2=CC[NH2+]CC2)CC1 ZINC000423337940 429068504 /nfs/dbraw/zinc/06/85/04/429068504.db2.gz AOWJBBGUTFBWCT-KRWDZBQOSA-N 2 3 313.489 2.591 20 0 DFADHP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCCN(C)C)cc1 ZINC000635009652 430195890 /nfs/dbraw/zinc/19/58/90/430195890.db2.gz YSVUULIBVFPJTQ-BQFCYCMXSA-N 2 3 319.493 2.795 20 0 DFADHP CC(C)[NH2+]CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000582481428 430303258 /nfs/dbraw/zinc/30/32/58/430303258.db2.gz CBLHBFXOKXZKIN-HKUYNNGSSA-N 2 3 303.494 2.875 20 0 DFADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309894097 279256310 /nfs/dbraw/zinc/25/63/10/279256310.db2.gz FVDWITMUFAASFT-QXCFHYIPSA-N 2 3 301.478 2.614 20 0 DFADHP [NH3+]CCC[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000656786614 431523320 /nfs/dbraw/zinc/52/33/20/431523320.db2.gz OHUDZXYTNFUYAY-HXUWFJFHSA-N 2 3 309.457 2.902 20 0 DFADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636184 295488149 /nfs/dbraw/zinc/48/81/49/295488149.db2.gz PZKPHRXUWIHJQB-OALUTQOASA-N 2 3 301.478 2.616 20 0 DFADHP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420311589 296173302 /nfs/dbraw/zinc/17/33/02/296173302.db2.gz HEEXICYZOVKXRI-RTBURBONSA-N 2 3 307.526 2.964 20 0 DFADHP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420311584 296173420 /nfs/dbraw/zinc/17/34/20/296173420.db2.gz HEEXICYZOVKXRI-RBUKOAKNSA-N 2 3 307.526 2.964 20 0 DFADHP CC1CC[NH+](C[C@H]2CCCN(CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318694 296174323 /nfs/dbraw/zinc/17/43/23/296174323.db2.gz OKELVEGNRQRVOR-OALUTQOASA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318694 296174324 /nfs/dbraw/zinc/17/43/24/296174324.db2.gz OKELVEGNRQRVOR-OALUTQOASA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318694 296174325 /nfs/dbraw/zinc/17/43/25/296174325.db2.gz OKELVEGNRQRVOR-OALUTQOASA-N 2 3 307.526 2.820 20 0 DFADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422714131 296320451 /nfs/dbraw/zinc/32/04/51/296320451.db2.gz KQWACNFDXJCZRU-IEBWSBKVSA-N 2 3 319.493 2.624 20 0 DFADHP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3N)c2)CC1 ZINC000422740112 296324429 /nfs/dbraw/zinc/32/44/29/296324429.db2.gz MIOZGWMBKJHPEN-MOPGFXCFSA-N 2 3 301.478 2.888 20 0 DFADHP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3N)c2)CC1 ZINC000422740113 296324596 /nfs/dbraw/zinc/32/45/96/296324596.db2.gz MIOZGWMBKJHPEN-OALUTQOASA-N 2 3 301.478 2.888 20 0 DFADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786484 296332734 /nfs/dbraw/zinc/33/27/34/296332734.db2.gz OYIYAAOZUACABV-VQIMIIECSA-N 2 3 301.478 2.760 20 0 DFADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130617 296382269 /nfs/dbraw/zinc/38/22/69/296382269.db2.gz GXUUCGLEOUFJHV-HNNXBMFYSA-N 2 3 304.482 2.765 20 0 DFADHP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423256236 296397333 /nfs/dbraw/zinc/39/73/33/296397333.db2.gz DQIWMFOQWJHWGC-DLBZAZTESA-N 2 3 319.493 2.667 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749533 /nfs/dbraw/zinc/74/95/33/542749533.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749535 /nfs/dbraw/zinc/74/95/35/542749535.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749539 /nfs/dbraw/zinc/74/95/39/542749539.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749541 /nfs/dbraw/zinc/74/95/41/542749541.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166175798 542749544 /nfs/dbraw/zinc/74/95/44/542749544.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166175798 542749547 /nfs/dbraw/zinc/74/95/47/542749547.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000359678975 427969329 /nfs/dbraw/zinc/96/93/29/427969329.db2.gz OSNACBRMAHPODI-VQIMIIECSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000359678975 427969334 /nfs/dbraw/zinc/96/93/34/427969334.db2.gz OSNACBRMAHPODI-VQIMIIECSA-N 2 3 301.478 2.712 20 0 DFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000360051713 428134911 /nfs/dbraw/zinc/13/49/11/428134911.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000360051713 428134916 /nfs/dbraw/zinc/13/49/16/428134916.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000360051713 428134921 /nfs/dbraw/zinc/13/49/21/428134921.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360051713 428134927 /nfs/dbraw/zinc/13/49/27/428134927.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CNC[C@@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423278202 429056277 /nfs/dbraw/zinc/05/62/77/429056277.db2.gz QTUKYKZFNPBDBE-IPJUCJBFSA-N 2 3 303.494 2.875 20 0 DFADHP CNC[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423278202 429056281 /nfs/dbraw/zinc/05/62/81/429056281.db2.gz QTUKYKZFNPBDBE-IPJUCJBFSA-N 2 3 303.494 2.875 20 0 DFADHP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2=CC[NH2+]CC2)CC1 ZINC000423337942 429067037 /nfs/dbraw/zinc/06/70/37/429067037.db2.gz AOWJBBGUTFBWCT-QGZVFWFLSA-N 2 3 313.489 2.591 20 0 DFADHP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398138 429080834 /nfs/dbraw/zinc/08/08/34/429080834.db2.gz TZRQYYJQCOPHRN-UAGQMJEPSA-N 2 3 305.466 2.548 20 0 DFADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805632 431158276 /nfs/dbraw/zinc/15/82/76/431158276.db2.gz JOULMQVMEBPIOO-RNIPGJKVSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000647793589 431689668 /nfs/dbraw/zinc/68/96/68/431689668.db2.gz BCAZZKCTDXBIPA-FLXSYLCISA-N 2 3 305.510 2.617 20 0 DFADHP N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664642 302468738 /nfs/dbraw/zinc/46/87/38/302468738.db2.gz XHJDECORRDDBIP-HZPDHXFCSA-N 2 3 307.507 2.820 20 0 DFADHP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCNC1 ZINC000570199926 302561179 /nfs/dbraw/zinc/56/11/79/302561179.db2.gz FXQPSZUOTZSLFH-RDJZCZTQSA-N 2 3 321.534 2.938 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000574530683 318022822 /nfs/dbraw/zinc/02/28/22/318022822.db2.gz DCXYLOYDDSHBOS-MSOLQXFVSA-N 2 3 319.493 2.767 20 0 DFADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422782576 296331801 /nfs/dbraw/zinc/33/18/01/296331801.db2.gz GROTUZGQZVRMKX-QFBILLFUSA-N 2 3 301.478 2.890 20 0 DFADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422804959 296336274 /nfs/dbraw/zinc/33/62/74/296336274.db2.gz IOLFSMTWIQUYHH-VQIMIIECSA-N 2 3 301.478 2.760 20 0 DFADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C1 ZINC000422868740 296347353 /nfs/dbraw/zinc/34/73/53/296347353.db2.gz VTWLPEVIWCDYSG-AYOQOUSVSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C1 ZINC000422868740 296347355 /nfs/dbraw/zinc/34/73/55/296347355.db2.gz VTWLPEVIWCDYSG-AYOQOUSVSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423262316 296397856 /nfs/dbraw/zinc/39/78/56/296397856.db2.gz VBFNVDQMTPJNSC-DLBZAZTESA-N 2 3 319.493 2.667 20 0 DFADHP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398140 296412573 /nfs/dbraw/zinc/41/25/73/296412573.db2.gz TZRQYYJQCOPHRN-XIRDDKMYSA-N 2 3 305.466 2.548 20 0 DFADHP N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640632 543310889 /nfs/dbraw/zinc/31/08/89/543310889.db2.gz SAOLKSULRRYAMI-MOPGFXCFSA-N 2 3 301.478 2.758 20 0 DFADHP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000679723031 544905270 /nfs/dbraw/zinc/90/52/70/544905270.db2.gz JLWALJCNRBBGTP-XYJFISCASA-N 2 3 307.526 2.959 20 0 DFADHP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274750871 426829628 /nfs/dbraw/zinc/82/96/28/426829628.db2.gz HKHWQZYUMGCHFP-XLIONFOSSA-N 2 3 313.489 2.749 20 0 DFADHP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274750871 426829631 /nfs/dbraw/zinc/82/96/31/426829631.db2.gz HKHWQZYUMGCHFP-XLIONFOSSA-N 2 3 313.489 2.749 20 0 DFADHP C[N@H+](C[C@H]1CC12CC[NH+](CCCN1CCCC1)CC2)C1CC1 ZINC000362106351 428624400 /nfs/dbraw/zinc/62/44/00/428624400.db2.gz NWZMHSRVUCLDDX-QGZVFWFLSA-N 2 3 305.510 2.669 20 0 DFADHP C[N@@H+](C[C@H]1CC12CC[NH+](CCCN1CCCC1)CC2)C1CC1 ZINC000362106351 428624405 /nfs/dbraw/zinc/62/44/05/428624405.db2.gz NWZMHSRVUCLDDX-QGZVFWFLSA-N 2 3 305.510 2.669 20 0 DFADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545068 428968229 /nfs/dbraw/zinc/96/82/29/428968229.db2.gz XFNMGRCPTJLWRO-QFBILLFUSA-N 2 3 305.510 2.929 20 0 DFADHP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423462809 429091091 /nfs/dbraw/zinc/09/10/91/429091091.db2.gz FDRXNIOIXBPJPH-UWWQBHOKSA-N 2 3 307.457 2.626 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000359608995 276335025 /nfs/dbraw/zinc/33/50/25/276335025.db2.gz UFQPCZVQBIQAPQ-APWZRJJASA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000359608995 276335026 /nfs/dbraw/zinc/33/50/26/276335026.db2.gz UFQPCZVQBIQAPQ-APWZRJJASA-N 2 3 303.494 2.958 20 0 DFADHP N[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664637 430381678 /nfs/dbraw/zinc/38/16/78/430381678.db2.gz XHJDECORRDDBIP-CVEARBPZSA-N 2 3 307.507 2.820 20 0 DFADHP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000665281018 430881816 /nfs/dbraw/zinc/88/18/16/430881816.db2.gz RQWWXSSIBFLUIG-MAUKXSAKSA-N 2 3 307.482 2.651 20 0 DFADHP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(OCCN(C)C)c1 ZINC000655806201 431158137 /nfs/dbraw/zinc/15/81/37/431158137.db2.gz QZNIDUAKNLIRFL-NUJGCVRESA-N 2 3 319.493 2.618 20 0 DFADHP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000667006267 431443089 /nfs/dbraw/zinc/44/30/89/431443089.db2.gz XJOFRYAGRCXECP-YLJYHZDGSA-N 2 3 315.505 2.876 20 0 DFADHP C[NH+]1CCC(Oc2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000578522821 318267185 /nfs/dbraw/zinc/26/71/85/318267185.db2.gz YBBYQRIZUHQKRO-IRXDYDNUSA-N 2 3 317.477 2.519 20 0 DFADHP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000578522820 318267212 /nfs/dbraw/zinc/26/72/12/318267212.db2.gz YBBYQRIZUHQKRO-IAGOWNOFSA-N 2 3 317.477 2.519 20 0 DFADHP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCCN(C)C)cc1 ZINC000269012535 207166001 /nfs/dbraw/zinc/16/60/01/207166001.db2.gz NVGDWPDNIHRDBC-INIZCTEOSA-N 2 3 307.482 2.619 20 0 DFADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422782574 296331947 /nfs/dbraw/zinc/33/19/47/296331947.db2.gz GROTUZGQZVRMKX-LPHOPBHVSA-N 2 3 301.478 2.890 20 0 DFADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785835 296332686 /nfs/dbraw/zinc/33/26/86/296332686.db2.gz KDFYUDZLNLMCIR-RTBURBONSA-N 2 3 301.478 2.890 20 0 DFADHP COc1ccc(CN2CCC(C[NH2+][C@H](C)CCC[NH3+])CC2)cc1 ZINC000422786182 296332814 /nfs/dbraw/zinc/33/28/14/296332814.db2.gz SIJKPFPRIWRSOI-MRXNPFEDSA-N 2 3 319.493 2.624 20 0 DFADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835557 296341645 /nfs/dbraw/zinc/34/16/45/296341645.db2.gz YSDYXGCIQRBPDO-QAPCUYQASA-N 2 3 321.534 2.938 20 0 DFADHP C[C@H]([NH3+])C[C@H](C)[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422892449 296351445 /nfs/dbraw/zinc/35/14/45/296351445.db2.gz YPCPPJCMZITFHB-QAETUUGQSA-N 2 3 303.494 2.858 20 0 DFADHP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422892446 296351532 /nfs/dbraw/zinc/35/15/32/296351532.db2.gz YPCPPJCMZITFHB-CNMWIUBYSA-N 2 3 303.494 2.858 20 0 DFADHP C[C@@H]1C[C@@H](CC[NH2+]C2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000422997477 296365103 /nfs/dbraw/zinc/36/51/03/296365103.db2.gz BJKNLJGIQWORTJ-SJLPKXTDSA-N 2 3 301.478 2.629 20 0 DFADHP C[C@@H]1C[C@@H](CC[NH2+]C2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000422997477 296365104 /nfs/dbraw/zinc/36/51/04/296365104.db2.gz BJKNLJGIQWORTJ-SJLPKXTDSA-N 2 3 301.478 2.629 20 0 DFADHP CCC1(C[NH2+][C@@H](C)C2CNC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423004198 296366216 /nfs/dbraw/zinc/36/62/16/296366216.db2.gz OMYFWONKCWAAFU-KRWDZBQOSA-N 2 3 315.505 2.876 20 0 DFADHP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423534780 296427572 /nfs/dbraw/zinc/42/75/72/296427572.db2.gz AXIAMGDALUZEIF-INIZCTEOSA-N 2 3 317.477 2.587 20 0 DFADHP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309754144 543065795 /nfs/dbraw/zinc/06/57/95/543065795.db2.gz WRFPMLSSJZKESJ-OTWHNJEPSA-N 2 3 301.478 2.758 20 0 DFADHP c1cc(CN2CCC(C[NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000322311482 543089138 /nfs/dbraw/zinc/08/91/38/543089138.db2.gz YPKQXIFDBVTSES-UHFFFAOYSA-N 2 3 313.489 2.640 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070124 543140394 /nfs/dbraw/zinc/14/03/94/543140394.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070124 543140398 /nfs/dbraw/zinc/14/03/98/543140398.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339070124 543140402 /nfs/dbraw/zinc/14/04/02/543140402.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339070124 543140406 /nfs/dbraw/zinc/14/04/06/543140406.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000339070124 543140409 /nfs/dbraw/zinc/14/04/09/543140409.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000339070124 543140411 /nfs/dbraw/zinc/14/04/11/543140411.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(OCCN(C)C)c1 ZINC000126242036 426011004 /nfs/dbraw/zinc/01/10/04/426011004.db2.gz YRWAAMYRFKOMJR-MRXNPFEDSA-N 2 3 319.493 2.619 20 0 DFADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162918028 426082478 /nfs/dbraw/zinc/08/24/78/426082478.db2.gz PUODEXNYOHJQKR-LPHOPBHVSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162918028 426082482 /nfs/dbraw/zinc/08/24/82/426082482.db2.gz PUODEXNYOHJQKR-LPHOPBHVSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CN1CCCCC1 ZINC000336865143 427766073 /nfs/dbraw/zinc/76/60/73/427766073.db2.gz UKSSCBXBEKNIJH-KRWDZBQOSA-N 2 3 316.493 2.762 20 0 DFADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620181 427938702 /nfs/dbraw/zinc/93/87/02/427938702.db2.gz PUODEXNYOHJQKR-VQIMIIECSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620181 427938708 /nfs/dbraw/zinc/93/87/08/427938708.db2.gz PUODEXNYOHJQKR-VQIMIIECSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423539883 428967266 /nfs/dbraw/zinc/96/72/66/428967266.db2.gz POBBHAGRFHJFHA-INIZCTEOSA-N 2 3 317.477 2.587 20 0 DFADHP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423455599 429090610 /nfs/dbraw/zinc/09/06/10/429090610.db2.gz FPAKDPLPGZMNNK-JZXOWHBKSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398139 429081912 /nfs/dbraw/zinc/08/19/12/429081912.db2.gz TZRQYYJQCOPHRN-USXIJHARSA-N 2 3 305.466 2.548 20 0 DFADHP CCCN1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051678 430311304 /nfs/dbraw/zinc/31/13/04/430311304.db2.gz XYLFKDRBDPSGOX-UHFFFAOYSA-N 2 3 301.478 2.639 20 0 DFADHP CCCN1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051678 430311307 /nfs/dbraw/zinc/31/13/07/430311307.db2.gz XYLFKDRBDPSGOX-UHFFFAOYSA-N 2 3 301.478 2.639 20 0 DFADHP C[N@H+](Cc1ccccc1)C1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000665280302 430880587 /nfs/dbraw/zinc/88/05/87/430880587.db2.gz YBWNOAHXVCRPCE-UHFFFAOYSA-N 2 3 313.489 2.771 20 0 DFADHP C[N@@H+](Cc1ccccc1)C1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000665280302 430880592 /nfs/dbraw/zinc/88/05/92/430880592.db2.gz YBWNOAHXVCRPCE-UHFFFAOYSA-N 2 3 313.489 2.771 20 0 DFADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000665280302 430880598 /nfs/dbraw/zinc/88/05/98/430880598.db2.gz YBWNOAHXVCRPCE-UHFFFAOYSA-N 2 3 313.489 2.771 20 0 DFADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000665280302 430880603 /nfs/dbraw/zinc/88/06/03/430880603.db2.gz YBWNOAHXVCRPCE-UHFFFAOYSA-N 2 3 313.489 2.771 20 0 DFADHP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954178 431421834 /nfs/dbraw/zinc/42/18/34/431421834.db2.gz RFZHKUOPYBUCSD-BPQIPLTHSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954178 431421838 /nfs/dbraw/zinc/42/18/38/431421838.db2.gz RFZHKUOPYBUCSD-BPQIPLTHSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953918 431422739 /nfs/dbraw/zinc/42/27/39/431422739.db2.gz LBSKBWVQBJHSTQ-BPQIPLTHSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953918 431422744 /nfs/dbraw/zinc/42/27/44/431422744.db2.gz LBSKBWVQBJHSTQ-BPQIPLTHSA-N 2 3 305.510 2.761 20 0 DFADHP CC(C)[C@H]([NH3+])CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000663498910 431446871 /nfs/dbraw/zinc/44/68/71/431446871.db2.gz SYQPQNJGBMYASQ-LJQANCHMSA-N 2 3 319.493 2.624 20 0 DFADHP CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647521657 431614951 /nfs/dbraw/zinc/61/49/51/431614951.db2.gz SSWDJRRQUWPQSR-GOSISDBHSA-N 2 3 319.493 2.591 20 0 DFADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743573 300357878 /nfs/dbraw/zinc/35/78/78/300357878.db2.gz XDJOCOKMXQJOJH-QZTJIDSGSA-N 2 3 317.477 2.521 20 0 DFADHP [NH3+]CC1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000556952993 301821668 /nfs/dbraw/zinc/82/16/68/301821668.db2.gz LHOOFTRBZGDOTB-ZPGGLAACSA-N 2 3 319.468 2.626 20 0 DFADHP CCN1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281628 /nfs/dbraw/zinc/28/16/28/302281628.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281631 /nfs/dbraw/zinc/28/16/31/302281631.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 2 3 301.478 2.637 20 0 DFADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422718526 296321087 /nfs/dbraw/zinc/32/10/87/296321087.db2.gz PVYBKZBSOJFJDD-RBUKOAKNSA-N 2 3 319.493 2.767 20 0 DFADHP C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891024 296351541 /nfs/dbraw/zinc/35/15/41/296351541.db2.gz UKTMMCCVILLYIS-DSJDWBEOSA-N 2 3 315.505 2.731 20 0 DFADHP C[C@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891026 296351577 /nfs/dbraw/zinc/35/15/77/296351577.db2.gz UKTMMCCVILLYIS-YQXATGRUSA-N 2 3 315.505 2.731 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422895637 296352197 /nfs/dbraw/zinc/35/21/97/296352197.db2.gz WLPBVQZQQAUUFV-HKUYNNGSSA-N 2 3 319.493 2.624 20 0 DFADHP N[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640635 543310687 /nfs/dbraw/zinc/31/06/87/543310687.db2.gz SAOLKSULRRYAMI-OALUTQOASA-N 2 3 301.478 2.758 20 0 DFADHP CN(C)CCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000671741581 544105438 /nfs/dbraw/zinc/10/54/38/544105438.db2.gz HROCYQVDCSYTRP-UHFFFAOYSA-N 2 3 319.493 2.589 20 0 DFADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000359678974 427968280 /nfs/dbraw/zinc/96/82/80/427968280.db2.gz OSNACBRMAHPODI-QFBILLFUSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000359678974 427968282 /nfs/dbraw/zinc/96/82/82/427968282.db2.gz OSNACBRMAHPODI-QFBILLFUSA-N 2 3 301.478 2.712 20 0 DFADHP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCNCC3)CC2)cc1 ZINC000397635478 428512665 /nfs/dbraw/zinc/51/26/65/428512665.db2.gz PNFCKUOSYAGNNX-IBGZPJMESA-N 2 3 301.478 2.630 20 0 DFADHP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478456 428547160 /nfs/dbraw/zinc/54/71/60/428547160.db2.gz VQDVMDHKUPBIGC-RNINOARNSA-N 2 3 313.489 2.770 20 0 DFADHP C[N@H+](C[C@@H]1CC12CC[NH+](CCCN1CCCC1)CC2)C1CC1 ZINC000362106350 428624658 /nfs/dbraw/zinc/62/46/58/428624658.db2.gz NWZMHSRVUCLDDX-KRWDZBQOSA-N 2 3 305.510 2.669 20 0 DFADHP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCN1CCCC1)CC2)C1CC1 ZINC000362106350 428624661 /nfs/dbraw/zinc/62/46/61/428624661.db2.gz NWZMHSRVUCLDDX-KRWDZBQOSA-N 2 3 305.510 2.669 20 0 DFADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423327497 429064390 /nfs/dbraw/zinc/06/43/90/429064390.db2.gz NFYXWJPOBKKSJG-GUDVDZBRSA-N 2 3 301.478 2.616 20 0 DFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2=CC[NH2+]CC2)C3)cc1 ZINC000423334741 429067407 /nfs/dbraw/zinc/06/74/07/429067407.db2.gz FXPWPQZKCKQRGX-ACDBMABISA-N 2 3 311.473 2.691 20 0 DFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2=CC[NH2+]CC2)C3)cc1 ZINC000423334741 429067411 /nfs/dbraw/zinc/06/74/11/429067411.db2.gz FXPWPQZKCKQRGX-ACDBMABISA-N 2 3 311.473 2.691 20 0 DFADHP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423361930 429071741 /nfs/dbraw/zinc/07/17/41/429071741.db2.gz HDKUVJUIIJAEHF-IFIJOSMWSA-N 2 3 311.420 2.517 20 0 DFADHP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c2c(c1)CNCC2 ZINC000662295174 431038124 /nfs/dbraw/zinc/03/81/24/431038124.db2.gz UBCJQJLVFWIRDQ-KRWDZBQOSA-N 2 3 313.489 2.544 20 0 DFADHP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000650763725 431684362 /nfs/dbraw/zinc/68/43/62/431684362.db2.gz HZFYBTSDFWUHHO-INIZCTEOSA-N 2 3 319.493 2.667 20 0 DFADHP CSC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC000353655415 295581436 /nfs/dbraw/zinc/58/14/36/295581436.db2.gz GBWNXBBRXUJNRR-UHFFFAOYSA-N 2 3 313.555 2.666 20 0 DFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000154860278 519630402 /nfs/dbraw/zinc/63/04/02/519630402.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000154860278 519630405 /nfs/dbraw/zinc/63/04/05/519630405.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000154860278 519630408 /nfs/dbraw/zinc/63/04/08/519630408.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000154860278 519630410 /nfs/dbraw/zinc/63/04/10/519630410.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318696 296174398 /nfs/dbraw/zinc/17/43/98/296174398.db2.gz OKELVEGNRQRVOR-RTBURBONSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318696 296174399 /nfs/dbraw/zinc/17/43/99/296174399.db2.gz OKELVEGNRQRVOR-RTBURBONSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318696 296174400 /nfs/dbraw/zinc/17/44/00/296174400.db2.gz OKELVEGNRQRVOR-RTBURBONSA-N 2 3 307.526 2.820 20 0 DFADHP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(OCCN(C)C)c1 ZINC000269053287 207202536 /nfs/dbraw/zinc/20/25/36/207202536.db2.gz WEYGGTSZLVUEMG-MRXNPFEDSA-N 2 3 307.482 2.619 20 0 DFADHP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422794137 296334127 /nfs/dbraw/zinc/33/41/27/296334127.db2.gz YGSIKZZTWJSJJX-CQSZACIVSA-N 2 3 304.482 2.621 20 0 DFADHP [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422812756 296337668 /nfs/dbraw/zinc/33/76/68/296337668.db2.gz WWDYYXBDKIYXPA-MOPGFXCFSA-N 2 3 301.478 2.890 20 0 DFADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000423234603 296395332 /nfs/dbraw/zinc/39/53/32/296395332.db2.gz MCOHKDRMYCFWTF-JLAWEPINSA-N 2 3 301.478 2.771 20 0 DFADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000423234603 296395334 /nfs/dbraw/zinc/39/53/34/296395334.db2.gz MCOHKDRMYCFWTF-JLAWEPINSA-N 2 3 301.478 2.771 20 0 DFADHP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423256237 296397328 /nfs/dbraw/zinc/39/73/28/296397328.db2.gz DQIWMFOQWJHWGC-IAGOWNOFSA-N 2 3 319.493 2.667 20 0 DFADHP C[N@H+](C[C@@H]1CC12CCN(CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322050 150022318 /nfs/dbraw/zinc/02/23/18/150022318.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 3 305.510 2.667 20 0 DFADHP C[N@@H+](C[C@@H]1CC12CCN(CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322050 150022321 /nfs/dbraw/zinc/02/23/21/150022321.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@@H]1CC12CCN(CC[C@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322050 150022322 /nfs/dbraw/zinc/02/23/22/150022322.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@@H]1CC12CCN(CC[C@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322050 150022325 /nfs/dbraw/zinc/02/23/25/150022325.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@@H]1CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371322050 150022326 /nfs/dbraw/zinc/02/23/26/150022326.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@@H]1CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371322050 150022329 /nfs/dbraw/zinc/02/23/29/150022329.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 3 305.510 2.667 20 0 DFADHP CCN1CC[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022667 /nfs/dbraw/zinc/02/26/67/431022667.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022670 /nfs/dbraw/zinc/02/26/70/431022670.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 2 3 301.478 2.637 20 0 DFADHP CCC[NH+]1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459409049 299099251 /nfs/dbraw/zinc/09/92/51/299099251.db2.gz NTXPKOMHXNANSE-UHFFFAOYSA-N 2 3 316.493 2.762 20 0 DFADHP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420311581 296173401 /nfs/dbraw/zinc/17/34/01/296173401.db2.gz HEEXICYZOVKXRI-OALUTQOASA-N 2 3 307.526 2.964 20 0 DFADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422714133 296320671 /nfs/dbraw/zinc/32/06/71/296320671.db2.gz KQWACNFDXJCZRU-PKOBYXMFSA-N 2 3 319.493 2.624 20 0 DFADHP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422794136 296334045 /nfs/dbraw/zinc/33/40/45/296334045.db2.gz YGSIKZZTWJSJJX-AWEZNQCLSA-N 2 3 304.482 2.621 20 0 DFADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835553 296341714 /nfs/dbraw/zinc/34/17/14/296341714.db2.gz YSDYXGCIQRBPDO-CRAIPNDOSA-N 2 3 321.534 2.938 20 0 DFADHP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422889956 296351208 /nfs/dbraw/zinc/35/12/08/296351208.db2.gz RAJLCMJUSJJIFX-KVPLUYHFSA-N 2 3 315.505 2.875 20 0 DFADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162917918 426083051 /nfs/dbraw/zinc/08/30/51/426083051.db2.gz PUODEXNYOHJQKR-APWZRJJASA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162917918 426083053 /nfs/dbraw/zinc/08/30/53/426083053.db2.gz PUODEXNYOHJQKR-APWZRJJASA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689841 428374983 /nfs/dbraw/zinc/37/49/83/428374983.db2.gz LWFPFIMMNXYTOI-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689841 428374987 /nfs/dbraw/zinc/37/49/87/428374987.db2.gz LWFPFIMMNXYTOI-FCGDIQPGSA-N 2 3 307.526 2.961 20 0 DFADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000415048723 428501497 /nfs/dbraw/zinc/50/14/97/428501497.db2.gz XGLHXPMNIYRZAB-SWBPCFCJSA-N 2 3 313.489 2.614 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000163564481 276334997 /nfs/dbraw/zinc/33/49/97/276334997.db2.gz UFQPCZVQBIQAPQ-LPHOPBHVSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000163564481 276335000 /nfs/dbraw/zinc/33/50/00/276335000.db2.gz UFQPCZVQBIQAPQ-LPHOPBHVSA-N 2 3 303.494 2.958 20 0 DFADHP CC(C)[NH2+]CCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000582481433 430303638 /nfs/dbraw/zinc/30/36/38/430303638.db2.gz CBLHBFXOKXZKIN-MJGOQNOKSA-N 2 3 303.494 2.875 20 0 DFADHP C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457652 430603719 /nfs/dbraw/zinc/60/37/19/430603719.db2.gz UPSPIDAPJPWDFZ-SXLOBPIMSA-N 2 3 315.505 2.876 20 0 DFADHP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(OCCN(C)C)c1 ZINC000655806202 431157412 /nfs/dbraw/zinc/15/74/12/431157412.db2.gz QZNIDUAKNLIRFL-XYJFISCASA-N 2 3 319.493 2.618 20 0 DFADHP NC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636181 295488223 /nfs/dbraw/zinc/48/82/23/295488223.db2.gz PZKPHRXUWIHJQB-MOPGFXCFSA-N 2 3 301.478 2.616 20 0 DFADHP C[N@H+](CCCC[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000459599516 299145312 /nfs/dbraw/zinc/14/53/12/299145312.db2.gz QZBGULDEGZHXKI-UHFFFAOYSA-N 2 3 302.466 2.514 20 0 DFADHP C[N@@H+](CCCC[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000459599516 299145316 /nfs/dbraw/zinc/14/53/16/299145316.db2.gz QZBGULDEGZHXKI-UHFFFAOYSA-N 2 3 302.466 2.514 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175508 /nfs/dbraw/zinc/17/55/08/296175508.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175509 /nfs/dbraw/zinc/17/55/09/296175509.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175510 /nfs/dbraw/zinc/17/55/10/296175510.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175512 /nfs/dbraw/zinc/17/55/12/296175512.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 2 3 307.526 2.963 20 0 DFADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422714130 296320465 /nfs/dbraw/zinc/32/04/65/296320465.db2.gz KQWACNFDXJCZRU-HKUYNNGSSA-N 2 3 319.493 2.624 20 0 DFADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781357 296331881 /nfs/dbraw/zinc/33/18/81/296331881.db2.gz IORWJIZXZGXDIE-OALUTQOASA-N 2 3 301.478 2.890 20 0 DFADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423130622 296382176 /nfs/dbraw/zinc/38/21/76/296382176.db2.gz GXUUCGLEOUFJHV-OAHLLOKOSA-N 2 3 304.482 2.765 20 0 DFADHP c1ccc(CN2CCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764604 543066067 /nfs/dbraw/zinc/06/60/67/543066067.db2.gz ZCUMFVGJELSVMO-OALUTQOASA-N 2 3 301.478 2.630 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139836 /nfs/dbraw/zinc/13/98/36/543139836.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139838 /nfs/dbraw/zinc/13/98/38/543139838.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139841 /nfs/dbraw/zinc/13/98/41/543139841.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139844 /nfs/dbraw/zinc/13/98/44/543139844.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000339070126 543139847 /nfs/dbraw/zinc/13/98/47/543139847.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000339070126 543139850 /nfs/dbraw/zinc/13/98/50/543139850.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 2 3 307.526 2.961 20 0 DFADHP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000261552507 146239165 /nfs/dbraw/zinc/23/91/65/146239165.db2.gz RNXLMPRIRNDASO-WYRHQLMOSA-N 2 3 313.489 2.757 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163772380 426108544 /nfs/dbraw/zinc/10/85/44/426108544.db2.gz NACFLYWGMPKBOB-LPHOPBHVSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163772380 426108547 /nfs/dbraw/zinc/10/85/47/426108547.db2.gz NACFLYWGMPKBOB-LPHOPBHVSA-N 2 3 303.494 2.958 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700884 428381191 /nfs/dbraw/zinc/38/11/91/428381191.db2.gz ZWRSXPRXBWMCGB-QYZOEREBSA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700884 428381195 /nfs/dbraw/zinc/38/11/95/428381195.db2.gz ZWRSXPRXBWMCGB-QYZOEREBSA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700884 428381198 /nfs/dbraw/zinc/38/11/98/428381198.db2.gz ZWRSXPRXBWMCGB-QYZOEREBSA-N 2 3 307.526 2.818 20 0 DFADHP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000423476632 429093719 /nfs/dbraw/zinc/09/37/19/429093719.db2.gz JEBWSIYUHBBHDO-AEFFLSMTSA-N 2 3 319.493 2.810 20 0 DFADHP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423361929 429071294 /nfs/dbraw/zinc/07/12/94/429071294.db2.gz HDKUVJUIIJAEHF-HACGYAERSA-N 2 3 311.420 2.517 20 0 DFADHP CC(C)N1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517575556 429389183 /nfs/dbraw/zinc/38/91/83/429389183.db2.gz DKTCKIWREXREAE-UHFFFAOYSA-N 2 3 301.478 2.637 20 0 DFADHP CC(C)N1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517575556 429389185 /nfs/dbraw/zinc/38/91/85/429389185.db2.gz DKTCKIWREXREAE-UHFFFAOYSA-N 2 3 301.478 2.637 20 0 DFADHP [NH3+]CCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000584100776 430458207 /nfs/dbraw/zinc/45/82/07/430458207.db2.gz DETBFTBXPWBQEF-LJQANCHMSA-N 2 3 301.478 2.931 20 0 DFADHP C[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457650 430604393 /nfs/dbraw/zinc/60/43/93/430604393.db2.gz UPSPIDAPJPWDFZ-DFQSSKMNSA-N 2 3 315.505 2.876 20 0 DFADHP C[C@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806297 431156447 /nfs/dbraw/zinc/15/64/47/431156447.db2.gz UPERZCQLRZHOPF-PBWTXFEYSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000647793592 431689556 /nfs/dbraw/zinc/68/95/56/431689556.db2.gz BCAZZKCTDXBIPA-YYWYGQEZSA-N 2 3 305.510 2.617 20 0 DFADHP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCCN(C)C)cc1 ZINC000423213662 296393190 /nfs/dbraw/zinc/39/31/90/296393190.db2.gz KITVSSCLMACMCL-OOHWJJMZSA-N 2 3 305.466 2.548 20 0 DFADHP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423262318 296397893 /nfs/dbraw/zinc/39/78/93/296397893.db2.gz VBFNVDQMTPJNSC-IRXDYDNUSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000423476633 296419957 /nfs/dbraw/zinc/41/99/57/296419957.db2.gz JEBWSIYUHBBHDO-FUHWJXTLSA-N 2 3 319.493 2.810 20 0 DFADHP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309754141 543065968 /nfs/dbraw/zinc/06/59/68/543065968.db2.gz WRFPMLSSJZKESJ-GUDVDZBRSA-N 2 3 301.478 2.758 20 0 DFADHP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309754145 543065483 /nfs/dbraw/zinc/06/54/83/543065483.db2.gz WRFPMLSSJZKESJ-QRVBRYPASA-N 2 3 301.478 2.758 20 0 DFADHP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(OCCN(C)C)c1 ZINC000126241817 426010984 /nfs/dbraw/zinc/01/09/84/426010984.db2.gz YRWAAMYRFKOMJR-INIZCTEOSA-N 2 3 319.493 2.619 20 0 DFADHP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478460 428547121 /nfs/dbraw/zinc/54/71/21/428547121.db2.gz VQDVMDHKUPBIGC-XAOHYQHJSA-N 2 3 313.489 2.770 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875714 /nfs/dbraw/zinc/87/57/14/428875714.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875722 /nfs/dbraw/zinc/87/57/22/428875722.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875726 /nfs/dbraw/zinc/87/57/26/428875726.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875732 /nfs/dbraw/zinc/87/57/32/428875732.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP CC[NH+](CC)CCC[C@@H](C)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425903381 429350596 /nfs/dbraw/zinc/35/05/96/429350596.db2.gz VZJWHVJYYRGKDS-OAHLLOKOSA-N 2 3 322.497 2.742 20 0 DFADHP N[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664640 430381226 /nfs/dbraw/zinc/38/12/26/430381226.db2.gz XHJDECORRDDBIP-HOTGVXAUSA-N 2 3 307.507 2.820 20 0 DFADHP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273008 431027625 /nfs/dbraw/zinc/02/76/25/431027625.db2.gz JIXQEHZJPAIESW-FUHWJXTLSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273008 431027631 /nfs/dbraw/zinc/02/76/31/431027631.db2.gz JIXQEHZJPAIESW-FUHWJXTLSA-N 2 3 313.489 2.544 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000163564372 279137458 /nfs/dbraw/zinc/13/74/58/279137458.db2.gz UFQPCZVQBIQAPQ-QFBILLFUSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000163564372 279137459 /nfs/dbraw/zinc/13/74/59/279137459.db2.gz UFQPCZVQBIQAPQ-QFBILLFUSA-N 2 3 303.494 2.958 20 0 DFADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806298 431157749 /nfs/dbraw/zinc/15/77/49/431157749.db2.gz UPERZCQLRZHOPF-RNIPGJKVSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCNC1 ZINC000667006265 431443615 /nfs/dbraw/zinc/44/36/15/431443615.db2.gz XJOFRYAGRCXECP-PXNSSMCTSA-N 2 3 315.505 2.876 20 0 DFADHP [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781356 296332012 /nfs/dbraw/zinc/33/20/12/296332012.db2.gz IORWJIZXZGXDIE-MOPGFXCFSA-N 2 3 301.478 2.890 20 0 DFADHP COc1ccc(CN2CCC(C[NH2+][C@@H](C)CCC[NH3+])CC2)cc1 ZINC000422786181 296332806 /nfs/dbraw/zinc/33/28/06/296332806.db2.gz SIJKPFPRIWRSOI-INIZCTEOSA-N 2 3 319.493 2.624 20 0 DFADHP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCNCC3)CC2)c1 ZINC000422825155 296339999 /nfs/dbraw/zinc/33/99/99/296339999.db2.gz JESXJNCYXZLWSP-MRXNPFEDSA-N 2 3 307.507 2.692 20 0 DFADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C1 ZINC000422868739 296347322 /nfs/dbraw/zinc/34/73/22/296347322.db2.gz VTWLPEVIWCDYSG-ATZDWAIDSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C1 ZINC000422868739 296347324 /nfs/dbraw/zinc/34/73/24/296347324.db2.gz VTWLPEVIWCDYSG-ATZDWAIDSA-N 2 3 301.478 2.888 20 0 DFADHP CSC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119896 296380682 /nfs/dbraw/zinc/38/06/82/296380682.db2.gz FAJCCXVHBPOORR-HZPDHXFCSA-N 2 3 313.555 2.714 20 0 DFADHP C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000089214833 542528732 /nfs/dbraw/zinc/52/87/32/542528732.db2.gz ZAKASQXIEQFZNM-INIZCTEOSA-N 2 3 316.493 2.618 20 0 DFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166796910 542752855 /nfs/dbraw/zinc/75/28/55/542752855.db2.gz IIMMSLGFPOJFIV-RBUKOAKNSA-N 2 3 307.526 2.961 20 0 DFADHP c1ccc(CN2CCC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764603 543065758 /nfs/dbraw/zinc/06/57/58/543065758.db2.gz ZCUMFVGJELSVMO-MOPGFXCFSA-N 2 3 301.478 2.630 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692778 428379086 /nfs/dbraw/zinc/37/90/86/428379086.db2.gz LQHKWOACJQAWPG-QRVBRYPASA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1C[C@@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704222 428381949 /nfs/dbraw/zinc/38/19/49/428381949.db2.gz CZGVNHDTGBVGME-WMZOPIPTSA-N 2 3 316.493 2.618 20 0 DFADHP C[C@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704222 428381953 /nfs/dbraw/zinc/38/19/53/428381953.db2.gz CZGVNHDTGBVGME-WMZOPIPTSA-N 2 3 316.493 2.618 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213087 428866065 /nfs/dbraw/zinc/86/60/65/428866065.db2.gz GYZLKCZXOASWEP-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213087 428866069 /nfs/dbraw/zinc/86/60/69/428866069.db2.gz GYZLKCZXOASWEP-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213087 428866074 /nfs/dbraw/zinc/86/60/74/428866074.db2.gz GYZLKCZXOASWEP-LJQANCHMSA-N 2 3 307.526 2.820 20 0 DFADHP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423453227 429090196 /nfs/dbraw/zinc/09/01/96/429090196.db2.gz AKAOSQIQWTZKMK-XYJFISCASA-N 2 3 319.493 2.795 20 0 DFADHP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000423485365 429097510 /nfs/dbraw/zinc/09/75/10/429097510.db2.gz RMMSDLVIEDKSLF-WMZOPIPTSA-N 2 3 319.493 2.810 20 0 DFADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535108 429110711 /nfs/dbraw/zinc/11/07/11/429110711.db2.gz CBEYUFKVWPQLKN-LPHOPBHVSA-N 2 3 305.510 2.929 20 0 DFADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2=CC[NH2+]CC2)CC1 ZINC000423535108 429110716 /nfs/dbraw/zinc/11/07/16/429110716.db2.gz CBEYUFKVWPQLKN-LPHOPBHVSA-N 2 3 305.510 2.929 20 0 DFADHP NC[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424301983 429123246 /nfs/dbraw/zinc/12/32/46/429123246.db2.gz LOVATIPUTDYWMB-SFHVURJKSA-N 2 3 319.468 2.676 20 0 DFADHP c1ccc([C@@H]2C[C@H](NCc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005856 430194039 /nfs/dbraw/zinc/19/40/39/430194039.db2.gz XAWMCHCDMNHBFY-CTNGQTDRSA-N 2 3 321.468 2.915 20 0 DFADHP CC(C)[NH2+]CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000582481432 430302703 /nfs/dbraw/zinc/30/27/03/430302703.db2.gz CBLHBFXOKXZKIN-IEBWSBKVSA-N 2 3 303.494 2.875 20 0 DFADHP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457651 430603929 /nfs/dbraw/zinc/60/39/29/430603929.db2.gz UPSPIDAPJPWDFZ-IHPCNDPISA-N 2 3 315.505 2.876 20 0 DFADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299267 430889259 /nfs/dbraw/zinc/88/92/59/430889259.db2.gz JPWXNMGWPWWBNT-CQSZACIVSA-N 2 3 316.493 2.621 20 0 DFADHP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340860 431026288 /nfs/dbraw/zinc/02/62/88/431026288.db2.gz JRSYSIYUVVZUIX-RBUKOAKNSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340860 431026292 /nfs/dbraw/zinc/02/62/92/431026292.db2.gz JRSYSIYUVVZUIX-RBUKOAKNSA-N 2 3 313.489 2.544 20 0 DFADHP [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781359 296331887 /nfs/dbraw/zinc/33/18/87/296331887.db2.gz IORWJIZXZGXDIE-RTBURBONSA-N 2 3 301.478 2.890 20 0 DFADHP C[C@H]1C[C@@H](CC[NH2+]C2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000422997476 296365371 /nfs/dbraw/zinc/36/53/71/296365371.db2.gz BJKNLJGIQWORTJ-FUHWJXTLSA-N 2 3 301.478 2.629 20 0 DFADHP C[C@H]1C[C@@H](CC[NH2+]C2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000422997476 296365372 /nfs/dbraw/zinc/36/53/72/296365372.db2.gz BJKNLJGIQWORTJ-FUHWJXTLSA-N 2 3 301.478 2.629 20 0 DFADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000423111791 296379726 /nfs/dbraw/zinc/37/97/26/296379726.db2.gz WQTOTVJTIJMNAI-INIZCTEOSA-N 2 3 319.493 2.767 20 0 DFADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545067 296428315 /nfs/dbraw/zinc/42/83/15/296428315.db2.gz XFNMGRCPTJLWRO-LPHOPBHVSA-N 2 3 305.510 2.929 20 0 DFADHP C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983823 428394392 /nfs/dbraw/zinc/39/43/92/428394392.db2.gz NSZVNWTZPNOWDB-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983823 428394398 /nfs/dbraw/zinc/39/43/98/428394398.db2.gz NSZVNWTZPNOWDB-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346983823 428394401 /nfs/dbraw/zinc/39/44/01/428394401.db2.gz NSZVNWTZPNOWDB-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346983823 428394407 /nfs/dbraw/zinc/39/44/07/428394407.db2.gz NSZVNWTZPNOWDB-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423455600 429091015 /nfs/dbraw/zinc/09/10/15/429091015.db2.gz FPAKDPLPGZMNNK-LZLYRXPVSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535107 429111065 /nfs/dbraw/zinc/11/10/65/429111065.db2.gz CBEYUFKVWPQLKN-APWZRJJASA-N 2 3 305.510 2.929 20 0 DFADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2=CC[NH2+]CC2)CC1 ZINC000423535107 429111070 /nfs/dbraw/zinc/11/10/70/429111070.db2.gz CBEYUFKVWPQLKN-APWZRJJASA-N 2 3 305.510 2.929 20 0 DFADHP C([NH2+]C1CCN(C2CCCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000373195625 276813592 /nfs/dbraw/zinc/81/35/92/276813592.db2.gz KXPOEFZLFFCFLJ-UHFFFAOYSA-N 2 3 305.510 2.857 20 0 DFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806296 431158160 /nfs/dbraw/zinc/15/81/60/431158160.db2.gz UPERZCQLRZHOPF-FPAYPSAMSA-N 2 3 307.526 2.959 20 0 DFADHP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@@H]12 ZINC000647788740 431687936 /nfs/dbraw/zinc/68/79/36/431687936.db2.gz POWAZNGQODISBX-SOLBZPMBSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390830 /nfs/dbraw/zinc/39/08/30/290390830.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390834 /nfs/dbraw/zinc/39/08/34/290390834.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCCN1C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390838 /nfs/dbraw/zinc/39/08/38/290390838.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCCN1C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390841 /nfs/dbraw/zinc/39/08/41/290390841.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 2 3 307.526 2.963 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000574530685 318022767 /nfs/dbraw/zinc/02/27/67/318022767.db2.gz DCXYLOYDDSHBOS-ROUUACIJSA-N 2 3 319.493 2.767 20 0 DFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000154860354 519631078 /nfs/dbraw/zinc/63/10/78/519631078.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000154860354 519631079 /nfs/dbraw/zinc/63/10/79/519631079.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000154860354 519631083 /nfs/dbraw/zinc/63/10/83/519631083.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154860354 519631084 /nfs/dbraw/zinc/63/10/84/519631084.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307894 296173058 /nfs/dbraw/zinc/17/30/58/296173058.db2.gz JCUHMGYBUGKNKU-AABGKKOBSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307894 296173059 /nfs/dbraw/zinc/17/30/59/296173059.db2.gz JCUHMGYBUGKNKU-AABGKKOBSA-N 2 3 315.505 2.658 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175562 /nfs/dbraw/zinc/17/55/62/296175562.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175564 /nfs/dbraw/zinc/17/55/64/296175564.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175566 /nfs/dbraw/zinc/17/55/66/296175566.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175568 /nfs/dbraw/zinc/17/55/68/296175568.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 2 3 307.526 2.963 20 0 DFADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422782572 296332119 /nfs/dbraw/zinc/33/21/19/296332119.db2.gz GROTUZGQZVRMKX-APWZRJJASA-N 2 3 301.478 2.890 20 0 DFADHP [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422812762 296337756 /nfs/dbraw/zinc/33/77/56/296337756.db2.gz WWDYYXBDKIYXPA-RTBURBONSA-N 2 3 301.478 2.890 20 0 DFADHP [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422812758 296337514 /nfs/dbraw/zinc/33/75/14/296337514.db2.gz WWDYYXBDKIYXPA-OALUTQOASA-N 2 3 301.478 2.890 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033754 427790637 /nfs/dbraw/zinc/79/06/37/427790637.db2.gz HGWJYBKADCARLZ-VQTJNVASSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033754 427790639 /nfs/dbraw/zinc/79/06/39/427790639.db2.gz HGWJYBKADCARLZ-VQTJNVASSA-N 2 3 315.505 2.658 20 0 DFADHP C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983817 428395173 /nfs/dbraw/zinc/39/51/73/428395173.db2.gz NSZVNWTZPNOWDB-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983817 428395177 /nfs/dbraw/zinc/39/51/77/428395177.db2.gz NSZVNWTZPNOWDB-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346983817 428395184 /nfs/dbraw/zinc/39/51/84/428395184.db2.gz NSZVNWTZPNOWDB-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346983817 428395189 /nfs/dbraw/zinc/39/51/89/428395189.db2.gz NSZVNWTZPNOWDB-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692777 428378687 /nfs/dbraw/zinc/37/86/87/428378687.db2.gz LQHKWOACJQAWPG-GUDVDZBRSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1C[C@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704220 428382010 /nfs/dbraw/zinc/38/20/10/428382010.db2.gz CZGVNHDTGBVGME-FUHWJXTLSA-N 2 3 316.493 2.618 20 0 DFADHP C[C@H]1C[C@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704220 428382014 /nfs/dbraw/zinc/38/20/14/428382014.db2.gz CZGVNHDTGBVGME-FUHWJXTLSA-N 2 3 316.493 2.618 20 0 DFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545069 428968931 /nfs/dbraw/zinc/96/89/31/428968931.db2.gz XFNMGRCPTJLWRO-VQIMIIECSA-N 2 3 305.510 2.929 20 0 DFADHP C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366040 429075271 /nfs/dbraw/zinc/07/52/71/429075271.db2.gz BLRJTYMPTOIQNF-UAGQMJEPSA-N 2 3 305.466 2.548 20 0 DFADHP CC1CC[NH+](CC2CC[NH+](CC[C@H]3CCCN3C)CC2)CC1 ZINC000364061114 429164196 /nfs/dbraw/zinc/16/41/96/429164196.db2.gz YIOOUBHJZYVQEX-LJQANCHMSA-N 2 3 307.526 2.915 20 0 DFADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309894096 279256255 /nfs/dbraw/zinc/25/62/55/279256255.db2.gz FVDWITMUFAASFT-OQIJWPOYSA-N 2 3 301.478 2.614 20 0 DFADHP [NH3+]CCC[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000656786613 431521971 /nfs/dbraw/zinc/52/19/71/431521971.db2.gz OHUDZXYTNFUYAY-FQEVSTJZSA-N 2 3 309.457 2.902 20 0 DFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000647793590 431690259 /nfs/dbraw/zinc/69/02/59/431690259.db2.gz BCAZZKCTDXBIPA-IGKNDFSCSA-N 2 3 305.510 2.617 20 0 DFADHP CC[NH+]1CCC(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297585698 528968271 /nfs/dbraw/zinc/96/82/71/528968271.db2.gz ITUHJXLUEKRYGS-UHFFFAOYSA-N 2 3 316.493 2.762 20 0 DFADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422804957 296336422 /nfs/dbraw/zinc/33/64/22/296336422.db2.gz IOLFSMTWIQUYHH-LPHOPBHVSA-N 2 3 301.478 2.760 20 0 DFADHP c1ccc(CN2CCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764605 543065812 /nfs/dbraw/zinc/06/58/12/543065812.db2.gz ZCUMFVGJELSVMO-RBUKOAKNSA-N 2 3 301.478 2.630 20 0 DFADHP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764986 543066109 /nfs/dbraw/zinc/06/61/09/543066109.db2.gz ZCUMFVGJELSVMO-RTBURBONSA-N 2 3 301.478 2.630 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070122 543140575 /nfs/dbraw/zinc/14/05/75/543140575.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070122 543140579 /nfs/dbraw/zinc/14/05/79/543140579.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339070122 543140582 /nfs/dbraw/zinc/14/05/82/543140582.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[NH+](CCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339070122 543140586 /nfs/dbraw/zinc/14/05/86/543140586.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000339070122 543140589 /nfs/dbraw/zinc/14/05/89/543140589.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000339070122 543140592 /nfs/dbraw/zinc/14/05/92/543140592.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP CC[N@H+](CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976436 146313857 /nfs/dbraw/zinc/31/38/57/146313857.db2.gz QVHQYIMVMYJOLN-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP CC[N@@H+](CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976436 146313858 /nfs/dbraw/zinc/31/38/58/146313858.db2.gz QVHQYIMVMYJOLN-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCNC2)CC1)CC1CC1 ZINC000261976436 146313859 /nfs/dbraw/zinc/31/38/59/146313859.db2.gz QVHQYIMVMYJOLN-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCNC2)CC1)CC1CC1 ZINC000261976436 146313860 /nfs/dbraw/zinc/31/38/60/146313860.db2.gz QVHQYIMVMYJOLN-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000679723026 544905865 /nfs/dbraw/zinc/90/58/65/544905865.db2.gz JLWALJCNRBBGTP-JZXOWHBKSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@@H]1C[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692779 428379348 /nfs/dbraw/zinc/37/93/48/428379348.db2.gz LQHKWOACJQAWPG-QYZOEREBSA-N 2 3 307.526 2.963 20 0 DFADHP C[N@H+](C[C@H]1CC12CCN(CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322051 428383496 /nfs/dbraw/zinc/38/34/96/428383496.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 2 3 305.510 2.667 20 0 DFADHP C[N@@H+](C[C@H]1CC12CCN(CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322051 428383497 /nfs/dbraw/zinc/38/34/97/428383497.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@H]1CC12CCN(CC[C@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322051 428383499 /nfs/dbraw/zinc/38/34/99/428383499.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@H]1CC12CCN(CC[C@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322051 428383501 /nfs/dbraw/zinc/38/35/01/428383501.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371322051 428383502 /nfs/dbraw/zinc/38/35/02/428383502.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371322051 428383504 /nfs/dbraw/zinc/38/35/04/428383504.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 2 3 305.510 2.667 20 0 DFADHP [NH3+]C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000572888118 430698054 /nfs/dbraw/zinc/69/80/54/430698054.db2.gz JQTUVQVIUSDFHO-RTWAWAEBSA-N 2 3 321.468 2.507 20 0 DFADHP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954180 431422541 /nfs/dbraw/zinc/42/25/41/431422541.db2.gz RFZHKUOPYBUCSD-NJAFHUGGSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954180 431422548 /nfs/dbraw/zinc/42/25/48/431422548.db2.gz RFZHKUOPYBUCSD-NJAFHUGGSA-N 2 3 305.510 2.761 20 0 DFADHP c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)CNCC2 ZINC000656783325 431521074 /nfs/dbraw/zinc/52/10/74/431521074.db2.gz PEACTAKIIXGTOV-LJQANCHMSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)CNCC2 ZINC000656783325 431521077 /nfs/dbraw/zinc/52/10/77/431521077.db2.gz PEACTAKIIXGTOV-LJQANCHMSA-N 2 3 313.489 2.544 20 0 DFADHP CCN1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281438 /nfs/dbraw/zinc/28/14/38/302281438.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281439 /nfs/dbraw/zinc/28/14/39/302281439.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 2 3 301.478 2.637 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318695 296174623 /nfs/dbraw/zinc/17/46/23/296174623.db2.gz OKELVEGNRQRVOR-RBUKOAKNSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318695 296174624 /nfs/dbraw/zinc/17/46/24/296174624.db2.gz OKELVEGNRQRVOR-RBUKOAKNSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318695 296174626 /nfs/dbraw/zinc/17/46/26/296174626.db2.gz OKELVEGNRQRVOR-RBUKOAKNSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CC[NH+](C[C@H]2CCCN(CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318693 296174651 /nfs/dbraw/zinc/17/46/51/296174651.db2.gz OKELVEGNRQRVOR-MOPGFXCFSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318693 296174652 /nfs/dbraw/zinc/17/46/52/296174652.db2.gz OKELVEGNRQRVOR-MOPGFXCFSA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318693 296174653 /nfs/dbraw/zinc/17/46/53/296174653.db2.gz OKELVEGNRQRVOR-MOPGFXCFSA-N 2 3 307.526 2.820 20 0 DFADHP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OCCN(C)C)cc1 ZINC000269012536 207165238 /nfs/dbraw/zinc/16/52/38/207165238.db2.gz NVGDWPDNIHRDBC-MRXNPFEDSA-N 2 3 307.482 2.619 20 0 DFADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422782578 296331854 /nfs/dbraw/zinc/33/18/54/296331854.db2.gz GROTUZGQZVRMKX-VQIMIIECSA-N 2 3 301.478 2.890 20 0 DFADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781358 296331990 /nfs/dbraw/zinc/33/19/90/296331990.db2.gz IORWJIZXZGXDIE-RBUKOAKNSA-N 2 3 301.478 2.890 20 0 DFADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785830 296332747 /nfs/dbraw/zinc/33/27/47/296332747.db2.gz KDFYUDZLNLMCIR-MOPGFXCFSA-N 2 3 301.478 2.890 20 0 DFADHP [NH3+]C1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000422825591 296339933 /nfs/dbraw/zinc/33/99/33/296339933.db2.gz JTJXKJISMIEMJJ-UHFFFAOYSA-N 2 3 307.507 2.820 20 0 DFADHP C[C@H]([NH3+])C[C@H](C)[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000422892448 296351453 /nfs/dbraw/zinc/35/14/53/296351453.db2.gz YPCPPJCMZITFHB-NCOADZHNSA-N 2 3 303.494 2.858 20 0 DFADHP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OCCN(C)C)c1 ZINC000423217280 296393500 /nfs/dbraw/zinc/39/35/00/296393500.db2.gz PWCRBTKISQGJDY-ODIFPOPNSA-N 2 3 305.466 2.548 20 0 DFADHP NC[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424301982 429122183 /nfs/dbraw/zinc/12/21/83/429122183.db2.gz LOVATIPUTDYWMB-GOSISDBHSA-N 2 3 319.468 2.676 20 0 DFADHP CC1CC[NH+](CC2CC[NH+](CC[C@@H]3CCCN3C)CC2)CC1 ZINC000364061113 429163953 /nfs/dbraw/zinc/16/39/53/429163953.db2.gz YIOOUBHJZYVQEX-IBGZPJMESA-N 2 3 307.526 2.915 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000359608996 276110117 /nfs/dbraw/zinc/11/01/17/276110117.db2.gz UFQPCZVQBIQAPQ-VQIMIIECSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000359608996 276110118 /nfs/dbraw/zinc/11/01/18/276110118.db2.gz UFQPCZVQBIQAPQ-VQIMIIECSA-N 2 3 303.494 2.958 20 0 DFADHP CCN1CC[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022302 /nfs/dbraw/zinc/02/23/02/431022302.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022304 /nfs/dbraw/zinc/02/23/04/431022304.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 2 3 301.478 2.637 20 0 DFADHP NC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636185 295488187 /nfs/dbraw/zinc/48/81/87/295488187.db2.gz PZKPHRXUWIHJQB-RBUKOAKNSA-N 2 3 301.478 2.616 20 0 DFADHP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000578522819 318267360 /nfs/dbraw/zinc/26/73/60/318267360.db2.gz YBBYQRIZUHQKRO-DLBZAZTESA-N 2 3 317.477 2.519 20 0 DFADHP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)CC1 ZINC000422810942 296337399 /nfs/dbraw/zinc/33/73/99/296337399.db2.gz VAAXREKSGHJIHR-MOPGFXCFSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900920 296352996 /nfs/dbraw/zinc/35/29/96/296352996.db2.gz KIKKDOIAZAAFJI-FXAWDEMLSA-N 2 3 315.505 2.876 20 0 DFADHP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH+](C2CC2)CC1 ZINC000423089711 296377072 /nfs/dbraw/zinc/37/70/72/296377072.db2.gz SXLFKMPOCKZMSU-GUDVDZBRSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000423111792 296379731 /nfs/dbraw/zinc/37/97/31/296379731.db2.gz WQTOTVJTIJMNAI-MRXNPFEDSA-N 2 3 319.493 2.767 20 0 DFADHP N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640639 543310627 /nfs/dbraw/zinc/31/06/27/543310627.db2.gz SAOLKSULRRYAMI-RBUKOAKNSA-N 2 3 301.478 2.758 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700881 428381674 /nfs/dbraw/zinc/38/16/74/428381674.db2.gz ZWRSXPRXBWMCGB-QRVBRYPASA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700881 428381680 /nfs/dbraw/zinc/38/16/80/428381680.db2.gz ZWRSXPRXBWMCGB-QRVBRYPASA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700881 428381683 /nfs/dbraw/zinc/38/16/83/428381683.db2.gz ZWRSXPRXBWMCGB-QRVBRYPASA-N 2 3 307.526 2.818 20 0 DFADHP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423534781 429111027 /nfs/dbraw/zinc/11/10/27/429111027.db2.gz AXIAMGDALUZEIF-MRXNPFEDSA-N 2 3 317.477 2.587 20 0 DFADHP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340861 431026319 /nfs/dbraw/zinc/02/63/19/431026319.db2.gz JRSYSIYUVVZUIX-RTBURBONSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340861 431026322 /nfs/dbraw/zinc/02/63/22/431026322.db2.gz JRSYSIYUVVZUIX-RTBURBONSA-N 2 3 313.489 2.544 20 0 DFADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953921 431423469 /nfs/dbraw/zinc/42/34/69/431423469.db2.gz LBSKBWVQBJHSTQ-NXHRZFHOSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953921 431423472 /nfs/dbraw/zinc/42/34/72/431423472.db2.gz LBSKBWVQBJHSTQ-NXHRZFHOSA-N 2 3 305.510 2.761 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000574530684 318022861 /nfs/dbraw/zinc/02/28/61/318022861.db2.gz DCXYLOYDDSHBOS-QZTJIDSGSA-N 2 3 319.493 2.767 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307897 296172936 /nfs/dbraw/zinc/17/29/36/296172936.db2.gz JCUHMGYBUGKNKU-HSALFYBXSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307897 296172938 /nfs/dbraw/zinc/17/29/38/296172938.db2.gz JCUHMGYBUGKNKU-HSALFYBXSA-N 2 3 315.505 2.658 20 0 DFADHP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422746989 296325811 /nfs/dbraw/zinc/32/58/11/296325811.db2.gz XUZNQCOKSCDCBE-AWEZNQCLSA-N 2 3 304.482 2.621 20 0 DFADHP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423331403 296405205 /nfs/dbraw/zinc/40/52/05/296405205.db2.gz OEPRIZJVBJHQHW-MRXNPFEDSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274750867 426830561 /nfs/dbraw/zinc/83/05/61/426830561.db2.gz HKHWQZYUMGCHFP-PXNSSMCTSA-N 2 3 313.489 2.749 20 0 DFADHP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274750867 426830563 /nfs/dbraw/zinc/83/05/63/426830563.db2.gz HKHWQZYUMGCHFP-PXNSSMCTSA-N 2 3 313.489 2.749 20 0 DFADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033756 427790882 /nfs/dbraw/zinc/79/08/82/427790882.db2.gz HGWJYBKADCARLZ-WOJBJXKFSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033756 427790884 /nfs/dbraw/zinc/79/08/84/427790884.db2.gz HGWJYBKADCARLZ-WOJBJXKFSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033751 427790645 /nfs/dbraw/zinc/79/06/45/427790645.db2.gz HGWJYBKADCARLZ-UXHICEINSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033751 427790647 /nfs/dbraw/zinc/79/06/47/427790647.db2.gz HGWJYBKADCARLZ-UXHICEINSA-N 2 3 315.505 2.658 20 0 DFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000360051714 428134712 /nfs/dbraw/zinc/13/47/12/428134712.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000360051714 428134717 /nfs/dbraw/zinc/13/47/17/428134717.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360051714 428134722 /nfs/dbraw/zinc/13/47/22/428134722.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360051714 428134725 /nfs/dbraw/zinc/13/47/25/428134725.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983821 428395010 /nfs/dbraw/zinc/39/50/10/428395010.db2.gz NSZVNWTZPNOWDB-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983821 428395015 /nfs/dbraw/zinc/39/50/15/428395015.db2.gz NSZVNWTZPNOWDB-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346983821 428395018 /nfs/dbraw/zinc/39/50/18/428395018.db2.gz NSZVNWTZPNOWDB-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346983821 428395023 /nfs/dbraw/zinc/39/50/23/428395023.db2.gz NSZVNWTZPNOWDB-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423539886 428969781 /nfs/dbraw/zinc/96/97/81/428969781.db2.gz POBBHAGRFHJFHA-MRXNPFEDSA-N 2 3 317.477 2.587 20 0 DFADHP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423453226 429090493 /nfs/dbraw/zinc/09/04/93/429090493.db2.gz AKAOSQIQWTZKMK-LZLYRXPVSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423398137 429082435 /nfs/dbraw/zinc/08/24/35/429082435.db2.gz TZRQYYJQCOPHRN-BHYGNILZSA-N 2 3 305.466 2.548 20 0 DFADHP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCNC1 ZINC000570199924 430521888 /nfs/dbraw/zinc/52/18/88/430521888.db2.gz FXQPSZUOTZSLFH-DOTOQJQBSA-N 2 3 321.534 2.938 20 0 DFADHP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273010 431028025 /nfs/dbraw/zinc/02/80/25/431028025.db2.gz JIXQEHZJPAIESW-WMZOPIPTSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273010 431028027 /nfs/dbraw/zinc/02/80/27/431028027.db2.gz JIXQEHZJPAIESW-WMZOPIPTSA-N 2 3 313.489 2.544 20 0 DFADHP CC(C)N1CCC([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260625 431018923 /nfs/dbraw/zinc/01/89/23/431018923.db2.gz NUOOEFVHPUGXOY-UHFFFAOYSA-N 2 3 301.478 2.637 20 0 DFADHP CC(C)N1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260625 431018927 /nfs/dbraw/zinc/01/89/27/431018927.db2.gz NUOOEFVHPUGXOY-UHFFFAOYSA-N 2 3 301.478 2.637 20 0 DFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000655806299 431157573 /nfs/dbraw/zinc/15/75/73/431157573.db2.gz UPERZCQLRZHOPF-RWQQGDIJSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000650763726 431685236 /nfs/dbraw/zinc/68/52/36/431685236.db2.gz HZFYBTSDFWUHHO-MRXNPFEDSA-N 2 3 319.493 2.667 20 0 DFADHP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CC[C@@H]12 ZINC000647788741 431687536 /nfs/dbraw/zinc/68/75/36/431687536.db2.gz POWAZNGQODISBX-XYJFISCASA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCNC1 ZINC000570199927 302561183 /nfs/dbraw/zinc/56/11/83/302561183.db2.gz FXQPSZUOTZSLFH-WBVHZDCISA-N 2 3 321.534 2.938 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000163552136 520754269 /nfs/dbraw/zinc/75/42/69/520754269.db2.gz PSWPVQLRLHCTIF-QFBILLFUSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000163552136 520754277 /nfs/dbraw/zinc/75/42/77/520754277.db2.gz PSWPVQLRLHCTIF-QFBILLFUSA-N 2 3 303.494 2.958 20 0 DFADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422714132 296320483 /nfs/dbraw/zinc/32/04/83/296320483.db2.gz KQWACNFDXJCZRU-MJGOQNOKSA-N 2 3 319.493 2.624 20 0 DFADHP C[C@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835555 296341710 /nfs/dbraw/zinc/34/17/10/296341710.db2.gz YSDYXGCIQRBPDO-MAUKXSAKSA-N 2 3 321.534 2.938 20 0 DFADHP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC[NH+](C2CC2)CC1 ZINC000423089714 296377103 /nfs/dbraw/zinc/37/71/03/296377103.db2.gz SXLFKMPOCKZMSU-QRVBRYPASA-N 2 3 305.510 2.761 20 0 DFADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCNCC2)CC1 ZINC000423184666 296389706 /nfs/dbraw/zinc/38/97/06/296389706.db2.gz MQIXECPMQBNLAE-UHFFFAOYSA-N 2 3 301.478 2.771 20 0 DFADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCNCC2)CC1 ZINC000423184666 296389708 /nfs/dbraw/zinc/38/97/08/296389708.db2.gz MQIXECPMQBNLAE-UHFFFAOYSA-N 2 3 301.478 2.771 20 0 DFADHP C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000089214836 542528316 /nfs/dbraw/zinc/52/83/16/542528316.db2.gz ZAKASQXIEQFZNM-MRXNPFEDSA-N 2 3 316.493 2.618 20 0 DFADHP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CN1CCCCC1 ZINC000336865146 427765665 /nfs/dbraw/zinc/76/56/65/427765665.db2.gz UKSSCBXBEKNIJH-QGZVFWFLSA-N 2 3 316.493 2.762 20 0 DFADHP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423331402 429065524 /nfs/dbraw/zinc/06/55/24/429065524.db2.gz OEPRIZJVBJHQHW-INIZCTEOSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805634 431158072 /nfs/dbraw/zinc/15/80/72/431158072.db2.gz JOULMQVMEBPIOO-ZAWLATJESA-N 2 3 307.526 2.959 20 0 DFADHP [NH3+]Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000565481043 302226969 /nfs/dbraw/zinc/22/69/69/302226969.db2.gz MOUBTDUBDLVHOE-UHFFFAOYSA-N 2 3 309.457 2.900 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000163772288 535612306 /nfs/dbraw/zinc/61/23/06/535612306.db2.gz NACFLYWGMPKBOB-QFBILLFUSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163772288 535612309 /nfs/dbraw/zinc/61/23/09/535612309.db2.gz NACFLYWGMPKBOB-QFBILLFUSA-N 2 3 303.494 2.958 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175831 /nfs/dbraw/zinc/17/58/31/296175831.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175832 /nfs/dbraw/zinc/17/58/32/296175832.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175833 /nfs/dbraw/zinc/17/58/33/296175833.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175834 /nfs/dbraw/zinc/17/58/34/296175834.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900924 296353149 /nfs/dbraw/zinc/35/31/49/296353149.db2.gz KIKKDOIAZAAFJI-YLJYHZDGSA-N 2 3 315.505 2.876 20 0 DFADHP CSC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119898 296380832 /nfs/dbraw/zinc/38/08/32/296380832.db2.gz FAJCCXVHBPOORR-JKSUJKDBSA-N 2 3 313.555 2.714 20 0 DFADHP N[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397640644 543310949 /nfs/dbraw/zinc/31/09/49/543310949.db2.gz SAOLKSULRRYAMI-RTBURBONSA-N 2 3 301.478 2.758 20 0 DFADHP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852483 428347054 /nfs/dbraw/zinc/34/70/54/428347054.db2.gz RTJJDYSNHXDUNU-FQEVSTJZSA-N 2 3 315.505 2.830 20 0 DFADHP C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852483 428347056 /nfs/dbraw/zinc/34/70/56/428347056.db2.gz RTJJDYSNHXDUNU-FQEVSTJZSA-N 2 3 315.505 2.830 20 0 DFADHP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852484 428347621 /nfs/dbraw/zinc/34/76/21/428347621.db2.gz RTJJDYSNHXDUNU-HXUWFJFHSA-N 2 3 315.505 2.830 20 0 DFADHP C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852484 428347627 /nfs/dbraw/zinc/34/76/27/428347627.db2.gz RTJJDYSNHXDUNU-HXUWFJFHSA-N 2 3 315.505 2.830 20 0 DFADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423327494 429064508 /nfs/dbraw/zinc/06/45/08/429064508.db2.gz NFYXWJPOBKKSJG-CEXWTWQISA-N 2 3 301.478 2.616 20 0 DFADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000423327496 429064930 /nfs/dbraw/zinc/06/49/30/429064930.db2.gz NFYXWJPOBKKSJG-GBESFXJTSA-N 2 3 301.478 2.616 20 0 DFADHP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000423485360 429097240 /nfs/dbraw/zinc/09/72/40/429097240.db2.gz RMMSDLVIEDKSLF-AEFFLSMTSA-N 2 3 319.493 2.810 20 0 DFADHP CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000665281213 430881831 /nfs/dbraw/zinc/88/18/31/430881831.db2.gz XJWRXAHRGLQCHL-MAUKXSAKSA-N 2 3 307.482 2.651 20 0 DFADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665299266 430888433 /nfs/dbraw/zinc/88/84/33/430888433.db2.gz JPWXNMGWPWWBNT-AWEZNQCLSA-N 2 3 316.493 2.621 20 0 DFADHP CCN1CC[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022233 /nfs/dbraw/zinc/02/22/33/431022233.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022240 /nfs/dbraw/zinc/02/22/40/431022240.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 2 3 301.478 2.637 20 0 DFADHP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273007 431027553 /nfs/dbraw/zinc/02/75/53/431027553.db2.gz JIXQEHZJPAIESW-AEFFLSMTSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273007 431027558 /nfs/dbraw/zinc/02/75/58/431027558.db2.gz JIXQEHZJPAIESW-AEFFLSMTSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)CNCC2 ZINC000662292334 431035430 /nfs/dbraw/zinc/03/54/30/431035430.db2.gz DQLPLHABVHUIRQ-SFHVURJKSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)CNCC2 ZINC000662292334 431035435 /nfs/dbraw/zinc/03/54/35/431035435.db2.gz DQLPLHABVHUIRQ-SFHVURJKSA-N 2 3 313.489 2.544 20 0 DFADHP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855433 431387265 /nfs/dbraw/zinc/38/72/65/431387265.db2.gz RHFYQXYDHXHOLI-GOSISDBHSA-N 2 3 303.494 2.876 20 0 DFADHP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000650763533 431685756 /nfs/dbraw/zinc/68/57/56/431685756.db2.gz CVZOIMMPJIQXIG-INIZCTEOSA-N 2 3 319.493 2.667 20 0 DFADHP C[NH+](C)CC1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459443676 299107777 /nfs/dbraw/zinc/10/77/77/299107777.db2.gz FAPFWFLPLVKGJD-UHFFFAOYSA-N 2 3 316.493 2.760 20 0 DFADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785831 296332523 /nfs/dbraw/zinc/33/25/23/296332523.db2.gz KDFYUDZLNLMCIR-OALUTQOASA-N 2 3 301.478 2.890 20 0 DFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422780478 296332033 /nfs/dbraw/zinc/33/20/33/296332033.db2.gz KDDZAPVIDUJVTJ-CVEARBPZSA-N 2 3 319.493 2.623 20 0 DFADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786483 296332597 /nfs/dbraw/zinc/33/25/97/296332597.db2.gz OYIYAAOZUACABV-QFBILLFUSA-N 2 3 301.478 2.760 20 0 DFADHP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)CC1 ZINC000422810949 296337305 /nfs/dbraw/zinc/33/73/05/296337305.db2.gz VAAXREKSGHJIHR-RTBURBONSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)C1 ZINC000422868741 296347407 /nfs/dbraw/zinc/34/74/07/296347407.db2.gz VTWLPEVIWCDYSG-LZQZEXGQSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)C1 ZINC000422868741 296347408 /nfs/dbraw/zinc/34/74/08/296347408.db2.gz VTWLPEVIWCDYSG-LZQZEXGQSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422892447 296351437 /nfs/dbraw/zinc/35/14/37/296351437.db2.gz YPCPPJCMZITFHB-HTBDUDNFSA-N 2 3 303.494 2.858 20 0 DFADHP C[C@@H]1C[C@H](CC[NH2+]C2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000422997475 296365294 /nfs/dbraw/zinc/36/52/94/296365294.db2.gz BJKNLJGIQWORTJ-AEFFLSMTSA-N 2 3 301.478 2.629 20 0 DFADHP C[C@@H]1C[C@H](CC[NH2+]C2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000422997475 296365296 /nfs/dbraw/zinc/36/52/96/296365296.db2.gz BJKNLJGIQWORTJ-AEFFLSMTSA-N 2 3 301.478 2.629 20 0 DFADHP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423262317 296398072 /nfs/dbraw/zinc/39/80/72/296398072.db2.gz VBFNVDQMTPJNSC-IAGOWNOFSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000126169539 426007742 /nfs/dbraw/zinc/00/77/42/426007742.db2.gz UUVNYGQDERESDJ-MRXNPFEDSA-N 2 3 319.493 2.619 20 0 DFADHP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CN1CCCC1 ZINC000298020406 427503508 /nfs/dbraw/zinc/50/35/08/427503508.db2.gz DPSZVLKZPWKQCW-UHFFFAOYSA-N 2 3 316.493 2.762 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700877 428381553 /nfs/dbraw/zinc/38/15/53/428381553.db2.gz ZWRSXPRXBWMCGB-OTWHNJEPSA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700877 428381559 /nfs/dbraw/zinc/38/15/59/428381559.db2.gz ZWRSXPRXBWMCGB-OTWHNJEPSA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700877 428381563 /nfs/dbraw/zinc/38/15/63/428381563.db2.gz ZWRSXPRXBWMCGB-OTWHNJEPSA-N 2 3 307.526 2.818 20 0 DFADHP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000423327498 429064484 /nfs/dbraw/zinc/06/44/84/429064484.db2.gz NFYXWJPOBKKSJG-IPMKNSEASA-N 2 3 301.478 2.616 20 0 DFADHP C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366044 429073922 /nfs/dbraw/zinc/07/39/22/429073922.db2.gz BLRJTYMPTOIQNF-XIRDDKMYSA-N 2 3 305.466 2.548 20 0 DFADHP N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643973505 430645713 /nfs/dbraw/zinc/64/57/13/430645713.db2.gz KUWHHBKNKZYAIW-RTBURBONSA-N 2 3 317.477 2.521 20 0 DFADHP CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000665281017 430881408 /nfs/dbraw/zinc/88/14/08/430881408.db2.gz RQWWXSSIBFLUIG-CRAIPNDOSA-N 2 3 307.482 2.651 20 0 DFADHP NC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823874 296339802 /nfs/dbraw/zinc/33/98/02/296339802.db2.gz FIOVAMJXMRBDBU-NVXWUHKLSA-N 2 3 307.507 2.677 20 0 DFADHP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(OCCN(C)C)c1 ZINC000423217281 296393347 /nfs/dbraw/zinc/39/33/47/296393347.db2.gz PWCRBTKISQGJDY-OOHWJJMZSA-N 2 3 305.466 2.548 20 0 DFADHP C[N@H+](C[C@@H]1CC12CCN(CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322052 150023105 /nfs/dbraw/zinc/02/31/05/150023105.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 3 305.510 2.667 20 0 DFADHP C[N@@H+](C[C@@H]1CC12CCN(CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322052 150023107 /nfs/dbraw/zinc/02/31/07/150023107.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@@H]1CC12CCN(CC[C@@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322052 150023110 /nfs/dbraw/zinc/02/31/10/150023110.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@@H]1CC12CCN(CC[C@@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322052 150023112 /nfs/dbraw/zinc/02/31/12/150023112.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@H]1CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371322052 150023115 /nfs/dbraw/zinc/02/31/15/150023115.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@H]1CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371322052 150023116 /nfs/dbraw/zinc/02/31/16/150023116.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 3 305.510 2.667 20 0 DFADHP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000679723028 544905926 /nfs/dbraw/zinc/90/59/26/544905926.db2.gz JLWALJCNRBBGTP-LZLYRXPVSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423453224 429090791 /nfs/dbraw/zinc/09/07/91/429090791.db2.gz AKAOSQIQWTZKMK-BQFCYCMXSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000423485364 429096887 /nfs/dbraw/zinc/09/68/87/429096887.db2.gz RMMSDLVIEDKSLF-SJLPKXTDSA-N 2 3 319.493 2.810 20 0 DFADHP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423329612 429064408 /nfs/dbraw/zinc/06/44/08/429064408.db2.gz MXXWVFOVIPPVEQ-MRXNPFEDSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423361932 429072944 /nfs/dbraw/zinc/07/29/44/429072944.db2.gz HDKUVJUIIJAEHF-SUYBPPKGSA-N 2 3 311.420 2.517 20 0 DFADHP CC[NH+](CC)CCC[C@H](C)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425903380 429350131 /nfs/dbraw/zinc/35/01/31/429350131.db2.gz VZJWHVJYYRGKDS-HNNXBMFYSA-N 2 3 322.497 2.742 20 0 DFADHP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OCCN(C)C)c1 ZINC000635009425 430195095 /nfs/dbraw/zinc/19/50/95/430195095.db2.gz YOWPUGAZWCWDMX-JFIYKMOQSA-N 2 3 319.493 2.795 20 0 DFADHP CCCN1CCC([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259804 431018472 /nfs/dbraw/zinc/01/84/72/431018472.db2.gz BOUACDZHUGGJID-UHFFFAOYSA-N 2 3 301.478 2.639 20 0 DFADHP CCCN1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259804 431018476 /nfs/dbraw/zinc/01/84/76/431018476.db2.gz BOUACDZHUGGJID-UHFFFAOYSA-N 2 3 301.478 2.639 20 0 DFADHP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954179 431422952 /nfs/dbraw/zinc/42/29/52/431422952.db2.gz RFZHKUOPYBUCSD-KBAYOESNSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954179 431422954 /nfs/dbraw/zinc/42/29/54/431422954.db2.gz RFZHKUOPYBUCSD-KBAYOESNSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000667006264 431442959 /nfs/dbraw/zinc/44/29/59/431442959.db2.gz XJOFRYAGRCXECP-FXAWDEMLSA-N 2 3 315.505 2.876 20 0 DFADHP CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647521658 431614137 /nfs/dbraw/zinc/61/41/37/431614137.db2.gz SSWDJRRQUWPQSR-SFHVURJKSA-N 2 3 319.493 2.591 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307899 296172999 /nfs/dbraw/zinc/17/29/99/296172999.db2.gz JCUHMGYBUGKNKU-UFYCRDLUSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307899 296173000 /nfs/dbraw/zinc/17/30/00/296173000.db2.gz JCUHMGYBUGKNKU-UFYCRDLUSA-N 2 3 315.505 2.658 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175842 /nfs/dbraw/zinc/17/58/42/296175842.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175843 /nfs/dbraw/zinc/17/58/43/296175843.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175844 /nfs/dbraw/zinc/17/58/44/296175844.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175845 /nfs/dbraw/zinc/17/58/45/296175845.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422804958 296336317 /nfs/dbraw/zinc/33/63/17/296336317.db2.gz IOLFSMTWIQUYHH-QFBILLFUSA-N 2 3 301.478 2.760 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422895638 296352236 /nfs/dbraw/zinc/35/22/36/296352236.db2.gz WLPBVQZQQAUUFV-IEBWSBKVSA-N 2 3 319.493 2.624 20 0 DFADHP C[C@H]1C[C@H](CC[NH2+]C2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000422997478 296365235 /nfs/dbraw/zinc/36/52/35/296365235.db2.gz BJKNLJGIQWORTJ-WMZOPIPTSA-N 2 3 301.478 2.629 20 0 DFADHP C[C@H]1C[C@H](CC[NH2+]C2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000422997478 296365236 /nfs/dbraw/zinc/36/52/36/296365236.db2.gz BJKNLJGIQWORTJ-WMZOPIPTSA-N 2 3 301.478 2.629 20 0 DFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166796798 542752875 /nfs/dbraw/zinc/75/28/75/542752875.db2.gz IIMMSLGFPOJFIV-RTBURBONSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274750863 426829851 /nfs/dbraw/zinc/82/98/51/426829851.db2.gz HKHWQZYUMGCHFP-FXAWDEMLSA-N 2 3 313.489 2.749 20 0 DFADHP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274750863 426829855 /nfs/dbraw/zinc/82/98/55/426829855.db2.gz HKHWQZYUMGCHFP-FXAWDEMLSA-N 2 3 313.489 2.749 20 0 DFADHP CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305646 427394366 /nfs/dbraw/zinc/39/43/66/427394366.db2.gz BIBFVMIZBCIBEY-WMZOPIPTSA-N 2 3 302.466 2.513 20 0 DFADHP c1cc(C[NH+]2CCCC2)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000298610939 427657014 /nfs/dbraw/zinc/65/70/14/427657014.db2.gz ZYUWQIUDVZSNAI-UHFFFAOYSA-N 2 3 313.489 2.999 20 0 DFADHP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700872 428379380 /nfs/dbraw/zinc/37/93/80/428379380.db2.gz ZWRSXPRXBWMCGB-FHWLQOOXSA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700872 428379384 /nfs/dbraw/zinc/37/93/84/428379384.db2.gz ZWRSXPRXBWMCGB-FHWLQOOXSA-N 2 3 307.526 2.818 20 0 DFADHP CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700872 428379386 /nfs/dbraw/zinc/37/93/86/428379386.db2.gz ZWRSXPRXBWMCGB-FHWLQOOXSA-N 2 3 307.526 2.818 20 0 DFADHP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478459 428546608 /nfs/dbraw/zinc/54/66/08/428546608.db2.gz VQDVMDHKUPBIGC-VJAOCGABSA-N 2 3 313.489 2.770 20 0 DFADHP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000359209642 428866977 /nfs/dbraw/zinc/86/69/77/428866977.db2.gz DEHIUZRAACJKSY-IBGZPJMESA-N 2 3 307.526 2.964 20 0 DFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535110 429110805 /nfs/dbraw/zinc/11/08/05/429110805.db2.gz CBEYUFKVWPQLKN-VQIMIIECSA-N 2 3 305.510 2.929 20 0 DFADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC2=CC[NH2+]CC2)CC1 ZINC000423535110 429110807 /nfs/dbraw/zinc/11/08/07/429110807.db2.gz CBEYUFKVWPQLKN-VQIMIIECSA-N 2 3 305.510 2.929 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000360417049 276110320 /nfs/dbraw/zinc/11/03/20/276110320.db2.gz PSWPVQLRLHCTIF-VQIMIIECSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360417049 276110323 /nfs/dbraw/zinc/11/03/23/276110323.db2.gz PSWPVQLRLHCTIF-VQIMIIECSA-N 2 3 303.494 2.958 20 0 DFADHP CCN1CC[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020899 /nfs/dbraw/zinc/02/08/99/431020899.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020903 /nfs/dbraw/zinc/02/09/03/431020903.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 2 3 301.478 2.637 20 0 DFADHP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662261398 431022269 /nfs/dbraw/zinc/02/22/69/431022269.db2.gz XIVSBFHLMLLTMY-UHFFFAOYSA-N 2 3 315.505 2.885 20 0 DFADHP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662261398 431022272 /nfs/dbraw/zinc/02/22/72/431022272.db2.gz XIVSBFHLMLLTMY-UHFFFAOYSA-N 2 3 315.505 2.885 20 0 DFADHP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340858 431024596 /nfs/dbraw/zinc/02/45/96/431024596.db2.gz JRSYSIYUVVZUIX-MOPGFXCFSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340858 431024601 /nfs/dbraw/zinc/02/46/01/431024601.db2.gz JRSYSIYUVVZUIX-MOPGFXCFSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273009 431026453 /nfs/dbraw/zinc/02/64/53/431026453.db2.gz JIXQEHZJPAIESW-SJLPKXTDSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)CNCC2 ZINC000662273009 431026459 /nfs/dbraw/zinc/02/64/59/431026459.db2.gz JIXQEHZJPAIESW-SJLPKXTDSA-N 2 3 313.489 2.544 20 0 DFADHP CCN1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281369 /nfs/dbraw/zinc/28/13/69/302281369.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281371 /nfs/dbraw/zinc/28/13/71/302281371.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 2 3 301.478 2.637 20 0 DFADHP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC[NH+](C2CC2)CC1 ZINC000423089712 296377222 /nfs/dbraw/zinc/37/72/22/296377222.db2.gz SXLFKMPOCKZMSU-IPMKNSEASA-N 2 3 305.510 2.761 20 0 DFADHP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423455598 296417952 /nfs/dbraw/zinc/41/79/52/296417952.db2.gz FPAKDPLPGZMNNK-BQFCYCMXSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)C1 ZINC000423545066 296428557 /nfs/dbraw/zinc/42/85/57/296428557.db2.gz XFNMGRCPTJLWRO-APWZRJJASA-N 2 3 305.510 2.929 20 0 DFADHP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000261552502 146239711 /nfs/dbraw/zinc/23/97/11/146239711.db2.gz RNXLMPRIRNDASO-AWUBQHKLSA-N 2 3 313.489 2.757 20 0 DFADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123031502 426410626 /nfs/dbraw/zinc/41/06/26/426410626.db2.gz OSNACBRMAHPODI-LPHOPBHVSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123031502 426410628 /nfs/dbraw/zinc/41/06/28/426410628.db2.gz OSNACBRMAHPODI-LPHOPBHVSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1C[C@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704221 428380635 /nfs/dbraw/zinc/38/06/35/428380635.db2.gz CZGVNHDTGBVGME-SJLPKXTDSA-N 2 3 316.493 2.618 20 0 DFADHP C[C@@H]1C[C@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704221 428380639 /nfs/dbraw/zinc/38/06/39/428380639.db2.gz CZGVNHDTGBVGME-SJLPKXTDSA-N 2 3 316.493 2.618 20 0 DFADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000415048719 428500047 /nfs/dbraw/zinc/50/00/47/428500047.db2.gz XGLHXPMNIYRZAB-LCWAXJCOSA-N 2 3 313.489 2.614 20 0 DFADHP C[C@H]1CCCCN1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251238 278332027 /nfs/dbraw/zinc/33/20/27/278332027.db2.gz DLERDKDTASTHLE-KRWDZBQOSA-N 2 3 316.493 2.905 20 0 DFADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309894095 279256320 /nfs/dbraw/zinc/25/63/20/279256320.db2.gz FVDWITMUFAASFT-NXWXRZEISA-N 2 3 301.478 2.614 20 0 DFADHP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OCCN(C)C)cc1 ZINC000655805049 431155000 /nfs/dbraw/zinc/15/50/00/431155000.db2.gz AIHLBBCRLRTESN-NUJGCVRESA-N 2 3 319.493 2.618 20 0 DFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805629 431156623 /nfs/dbraw/zinc/15/66/23/431156623.db2.gz JOULMQVMEBPIOO-FPAYPSAMSA-N 2 3 307.526 2.959 20 0 DFADHP C[NH+]1CCC(Oc2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000578522822 318267273 /nfs/dbraw/zinc/26/72/73/318267273.db2.gz YBBYQRIZUHQKRO-SJORKVTESA-N 2 3 317.477 2.519 20 0 DFADHP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422746998 296325875 /nfs/dbraw/zinc/32/58/75/296325875.db2.gz XUZNQCOKSCDCBE-CQSZACIVSA-N 2 3 304.482 2.621 20 0 DFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@H](C)N)CC2)cc1 ZINC000422780481 296331994 /nfs/dbraw/zinc/33/19/94/296331994.db2.gz KDDZAPVIDUJVTJ-JKSUJKDBSA-N 2 3 319.493 2.623 20 0 DFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422780480 296332074 /nfs/dbraw/zinc/33/20/74/296332074.db2.gz KDDZAPVIDUJVTJ-HZPDHXFCSA-N 2 3 319.493 2.623 20 0 DFADHP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422889955 296351251 /nfs/dbraw/zinc/35/12/51/296351251.db2.gz RAJLCMJUSJJIFX-BWPNAZKDSA-N 2 3 315.505 2.875 20 0 DFADHP CCC1(C[NH2+][C@@H]2CCNC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422999703 296365532 /nfs/dbraw/zinc/36/55/32/296365532.db2.gz FRVIWLPONMVIOW-GOSISDBHSA-N 2 3 301.478 2.630 20 0 DFADHP CN1CCC(Oc2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2)CC1 ZINC000423108993 296379254 /nfs/dbraw/zinc/37/92/54/296379254.db2.gz SAGXIDATZFXMRK-UHFFFAOYSA-N 2 3 317.477 2.519 20 0 DFADHP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000261552504 146239540 /nfs/dbraw/zinc/23/95/40/146239540.db2.gz RNXLMPRIRNDASO-RDLPGAODSA-N 2 3 313.489 2.757 20 0 DFADHP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNCC3)[C@@H]1CCC[NH3+] ZINC000662313954 431044311 /nfs/dbraw/zinc/04/43/11/431044311.db2.gz AJDPUTKEFNLFMI-DNVCBOLYSA-N 2 3 301.478 2.672 20 0 DFADHP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCC3)[C@@H]1CCC[NH3+] ZINC000662313954 431044314 /nfs/dbraw/zinc/04/43/14/431044314.db2.gz AJDPUTKEFNLFMI-DNVCBOLYSA-N 2 3 301.478 2.672 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000163552250 279138146 /nfs/dbraw/zinc/13/81/46/279138146.db2.gz PSWPVQLRLHCTIF-LPHOPBHVSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000163552250 279138149 /nfs/dbraw/zinc/13/81/49/279138149.db2.gz PSWPVQLRLHCTIF-LPHOPBHVSA-N 2 3 303.494 2.958 20 0 DFADHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309894098 279256260 /nfs/dbraw/zinc/25/62/60/279256260.db2.gz FVDWITMUFAASFT-XGXHKWSGSA-N 2 3 301.478 2.614 20 0 DFADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655805626 431157473 /nfs/dbraw/zinc/15/74/73/431157473.db2.gz JOULMQVMEBPIOO-DKKFBQAASA-N 2 3 307.526 2.959 20 0 DFADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953920 431423207 /nfs/dbraw/zinc/42/32/07/431423207.db2.gz LBSKBWVQBJHSTQ-NJAFHUGGSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953920 431423211 /nfs/dbraw/zinc/42/32/11/431423211.db2.gz LBSKBWVQBJHSTQ-NJAFHUGGSA-N 2 3 305.510 2.761 20 0 DFADHP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855434 431387138 /nfs/dbraw/zinc/38/71/38/431387138.db2.gz RHFYQXYDHXHOLI-SFHVURJKSA-N 2 3 303.494 2.876 20 0 DFADHP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCNC1 ZINC000667006266 431443224 /nfs/dbraw/zinc/44/32/24/431443224.db2.gz XJOFRYAGRCXECP-XLIONFOSSA-N 2 3 315.505 2.876 20 0 DFADHP CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305638 282194320 /nfs/dbraw/zinc/19/43/20/282194320.db2.gz BIBFVMIZBCIBEY-FUHWJXTLSA-N 2 3 302.466 2.513 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307898 296172873 /nfs/dbraw/zinc/17/28/73/296172873.db2.gz JCUHMGYBUGKNKU-SLFFLAALSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307898 296172874 /nfs/dbraw/zinc/17/28/74/296172874.db2.gz JCUHMGYBUGKNKU-SLFFLAALSA-N 2 3 315.505 2.658 20 0 DFADHP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCNCC3)CC2)c1 ZINC000422825154 296339971 /nfs/dbraw/zinc/33/99/71/296339971.db2.gz JESXJNCYXZLWSP-INIZCTEOSA-N 2 3 307.507 2.692 20 0 DFADHP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423256238 296397270 /nfs/dbraw/zinc/39/72/70/296397270.db2.gz DQIWMFOQWJHWGC-IRXDYDNUSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423262319 296397819 /nfs/dbraw/zinc/39/78/19/296397819.db2.gz VBFNVDQMTPJNSC-SJORKVTESA-N 2 3 319.493 2.667 20 0 DFADHP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000423476634 296420132 /nfs/dbraw/zinc/42/01/32/296420132.db2.gz JEBWSIYUHBBHDO-SJLPKXTDSA-N 2 3 319.493 2.810 20 0 DFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339066869 543140036 /nfs/dbraw/zinc/14/00/36/543140036.db2.gz IIMMSLGFPOJFIV-OALUTQOASA-N 2 3 307.526 2.961 20 0 DFADHP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457653 430604499 /nfs/dbraw/zinc/60/44/99/430604499.db2.gz UPSPIDAPJPWDFZ-YSIASYRMSA-N 2 3 315.505 2.876 20 0 DFADHP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)CNCC2 ZINC000662292332 431035205 /nfs/dbraw/zinc/03/52/05/431035205.db2.gz DQLPLHABVHUIRQ-GOSISDBHSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)CNCC2 ZINC000662292332 431035209 /nfs/dbraw/zinc/03/52/09/431035209.db2.gz DQLPLHABVHUIRQ-GOSISDBHSA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)CNCC2 ZINC000656783324 431519414 /nfs/dbraw/zinc/51/94/14/431519414.db2.gz PEACTAKIIXGTOV-IBGZPJMESA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)CNCC2 ZINC000656783324 431519424 /nfs/dbraw/zinc/51/94/24/431519424.db2.gz PEACTAKIIXGTOV-IBGZPJMESA-N 2 3 313.489 2.544 20 0 DFADHP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CC[C@@H]12 ZINC000647788739 431687298 /nfs/dbraw/zinc/68/72/98/431687298.db2.gz POWAZNGQODISBX-LZLYRXPVSA-N 2 3 305.510 2.761 20 0 DFADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743575 300357886 /nfs/dbraw/zinc/35/78/86/300357886.db2.gz XDJOCOKMXQJOJH-ZWKOTPCHSA-N 2 3 317.477 2.521 20 0 DFADHP N[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000568664643 302468815 /nfs/dbraw/zinc/46/88/15/302468815.db2.gz XHJDECORRDDBIP-JKSUJKDBSA-N 2 3 307.507 2.820 20 0 DFADHP c1cc2c(cc1CN1CCC(C[NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000391205199 323345668 /nfs/dbraw/zinc/34/56/68/323345668.db2.gz GGCWCGCVKQYEED-UHFFFAOYSA-N 2 3 313.489 2.640 20 0 DFADHP C[NH+](C)C1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000421364993 296248783 /nfs/dbraw/zinc/24/87/83/296248783.db2.gz ALWKBOILIWIZFA-UHFFFAOYSA-N 2 3 302.466 2.513 20 0 DFADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422718525 296321017 /nfs/dbraw/zinc/32/10/17/296321017.db2.gz PVYBKZBSOJFJDD-OALUTQOASA-N 2 3 319.493 2.767 20 0 DFADHP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3N)c2)CC1 ZINC000422740114 296324555 /nfs/dbraw/zinc/32/45/55/296324555.db2.gz MIOZGWMBKJHPEN-RBUKOAKNSA-N 2 3 301.478 2.888 20 0 DFADHP COC[C@@H](CCC[NH3+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000422793081 296333555 /nfs/dbraw/zinc/33/35/55/296333555.db2.gz ROPRNMFLELVJNN-LJQANCHMSA-N 2 3 319.493 2.516 20 0 DFADHP COC[C@H](CCC[NH3+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000422792708 296333645 /nfs/dbraw/zinc/33/36/45/296333645.db2.gz ROPRNMFLELVJNN-IBGZPJMESA-N 2 3 319.493 2.516 20 0 DFADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422835558 296341622 /nfs/dbraw/zinc/34/16/22/296341622.db2.gz YSDYXGCIQRBPDO-YJBOKZPZSA-N 2 3 321.534 2.938 20 0 DFADHP C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422889958 296351333 /nfs/dbraw/zinc/35/13/33/296351333.db2.gz RAJLCMJUSJJIFX-ZHALLVOQSA-N 2 3 315.505 2.875 20 0 DFADHP CCC1(C[NH2+][C@H]2CCNC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422999705 296365673 /nfs/dbraw/zinc/36/56/73/296365673.db2.gz FRVIWLPONMVIOW-SFHVURJKSA-N 2 3 301.478 2.630 20 0 DFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067082 148231240 /nfs/dbraw/zinc/23/12/40/148231240.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067082 148231243 /nfs/dbraw/zinc/23/12/43/148231243.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358067082 148231246 /nfs/dbraw/zinc/23/12/46/148231246.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358067082 148231250 /nfs/dbraw/zinc/23/12/50/148231250.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067077 148231716 /nfs/dbraw/zinc/23/17/16/148231716.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067077 148231719 /nfs/dbraw/zinc/23/17/19/148231719.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358067077 148231721 /nfs/dbraw/zinc/23/17/21/148231721.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358067077 148231724 /nfs/dbraw/zinc/23/17/24/148231724.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 2 3 303.494 2.957 20 0 DFADHP c1cc(N2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)ccn1 ZINC000297506680 296604969 /nfs/dbraw/zinc/60/49/69/296604969.db2.gz VNPSEYGVQYLTDV-UHFFFAOYSA-N 2 3 316.493 2.906 20 0 DFADHP CC[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192827883 427619474 /nfs/dbraw/zinc/61/94/74/427619474.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 2 3 301.478 2.853 20 0 DFADHP CC[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192827883 427619478 /nfs/dbraw/zinc/61/94/78/427619478.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 2 3 301.478 2.853 20 0 DFADHP C[N@H+]1CC=C(CNC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000371514209 428396111 /nfs/dbraw/zinc/39/61/11/428396111.db2.gz LBWODRXEYUDWHS-UHFFFAOYSA-N 2 3 305.510 2.883 20 0 DFADHP C[N@@H+]1CC=C(CNC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000371514209 428396119 /nfs/dbraw/zinc/39/61/19/428396119.db2.gz LBWODRXEYUDWHS-UHFFFAOYSA-N 2 3 305.510 2.883 20 0 DFADHP C[C@@H]1C[C@@H](C[N@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704219 428381495 /nfs/dbraw/zinc/38/14/95/428381495.db2.gz CZGVNHDTGBVGME-AEFFLSMTSA-N 2 3 316.493 2.618 20 0 DFADHP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000414704219 428381498 /nfs/dbraw/zinc/38/14/98/428381498.db2.gz CZGVNHDTGBVGME-AEFFLSMTSA-N 2 3 316.493 2.618 20 0 DFADHP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000359209646 428866159 /nfs/dbraw/zinc/86/61/59/428866159.db2.gz DEHIUZRAACJKSY-LJQANCHMSA-N 2 3 307.526 2.964 20 0 DFADHP c1ccc([C@H]2C[C@@H](NCc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005869 430194314 /nfs/dbraw/zinc/19/43/14/430194314.db2.gz XAWMCHCDMNHBFY-PZJWPPBQSA-N 2 3 321.468 2.915 20 0 DFADHP c1ccc([C@H]2C[C@H](NCc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005871 430193309 /nfs/dbraw/zinc/19/33/09/430193309.db2.gz XAWMCHCDMNHBFY-TZIWHRDSSA-N 2 3 321.468 2.915 20 0 DFADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333623 /nfs/dbraw/zinc/33/36/23/278333623.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333624 /nfs/dbraw/zinc/33/36/24/278333624.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCCN1C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333625 /nfs/dbraw/zinc/33/36/25/278333625.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]1CCCCN1C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333626 /nfs/dbraw/zinc/33/36/26/278333626.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 2 3 307.526 2.963 20 0 DFADHP CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000665281212 430881169 /nfs/dbraw/zinc/88/11/69/430881169.db2.gz XJWRXAHRGLQCHL-CRAIPNDOSA-N 2 3 307.482 2.651 20 0 DFADHP CCN1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281479 /nfs/dbraw/zinc/28/14/79/302281479.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 2 3 301.478 2.637 20 0 DFADHP CCN1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281482 /nfs/dbraw/zinc/28/14/82/302281482.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 2 3 301.478 2.637 20 0 DFADHP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(OCCN(C)C)c1 ZINC000269053286 207202388 /nfs/dbraw/zinc/20/23/88/207202388.db2.gz WEYGGTSZLVUEMG-INIZCTEOSA-N 2 3 307.482 2.619 20 0 DFADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422785834 296332601 /nfs/dbraw/zinc/33/26/01/296332601.db2.gz KDFYUDZLNLMCIR-RBUKOAKNSA-N 2 3 301.478 2.890 20 0 DFADHP NC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823878 296339589 /nfs/dbraw/zinc/33/95/89/296339589.db2.gz FIOVAMJXMRBDBU-WBVHZDCISA-N 2 3 307.507 2.677 20 0 DFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067085 148231284 /nfs/dbraw/zinc/23/12/84/148231284.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067085 148231287 /nfs/dbraw/zinc/23/12/87/148231287.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358067085 148231291 /nfs/dbraw/zinc/23/12/91/148231291.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358067085 148231294 /nfs/dbraw/zinc/23/12/94/148231294.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 2 3 303.494 2.957 20 0 DFADHP C[C@@H]1CCCCN1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251242 427547199 /nfs/dbraw/zinc/54/71/99/427547199.db2.gz DLERDKDTASTHLE-QGZVFWFLSA-N 2 3 316.493 2.905 20 0 DFADHP CC(C)N1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298372211 427588328 /nfs/dbraw/zinc/58/83/28/427588328.db2.gz KSSGQQAOESEAOA-QGZVFWFLSA-N 2 3 316.493 2.760 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000337033749 427790408 /nfs/dbraw/zinc/79/04/08/427790408.db2.gz HGWJYBKADCARLZ-PMACEKPBSA-N 2 3 315.505 2.658 20 0 DFADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033749 427790409 /nfs/dbraw/zinc/79/04/09/427790409.db2.gz HGWJYBKADCARLZ-PMACEKPBSA-N 2 3 315.505 2.658 20 0 DFADHP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423462808 429091068 /nfs/dbraw/zinc/09/10/68/429091068.db2.gz FDRXNIOIXBPJPH-QILLFSRXSA-N 2 3 307.457 2.626 20 0 DFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2=CC[NH2+]CC2)C3)cc1 ZINC000423334747 429068783 /nfs/dbraw/zinc/06/87/83/429068783.db2.gz FXPWPQZKCKQRGX-OWZKRDHZSA-N 2 3 311.473 2.691 20 0 DFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2=CC[NH2+]CC2)C3)cc1 ZINC000423334747 429068785 /nfs/dbraw/zinc/06/87/85/429068785.db2.gz FXPWPQZKCKQRGX-OWZKRDHZSA-N 2 3 311.473 2.691 20 0 DFADHP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423366042 429074128 /nfs/dbraw/zinc/07/41/28/429074128.db2.gz BLRJTYMPTOIQNF-USXIJHARSA-N 2 3 305.466 2.548 20 0 DFADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423535109 429110792 /nfs/dbraw/zinc/11/07/92/429110792.db2.gz CBEYUFKVWPQLKN-QFBILLFUSA-N 2 3 305.510 2.929 20 0 DFADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC2=CC[NH2+]CC2)CC1 ZINC000423535109 429110796 /nfs/dbraw/zinc/11/07/96/429110796.db2.gz CBEYUFKVWPQLKN-QFBILLFUSA-N 2 3 305.510 2.929 20 0 DFADHP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c2c(c1)CNCC2 ZINC000662295176 431038097 /nfs/dbraw/zinc/03/80/97/431038097.db2.gz UBCJQJLVFWIRDQ-QGZVFWFLSA-N 2 3 313.489 2.544 20 0 DFADHP C[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)[C@@H]1CCC[NH3+] ZINC000662309898 431041933 /nfs/dbraw/zinc/04/19/33/431041933.db2.gz AHLSXGBUCHNABO-DNVCBOLYSA-N 2 3 301.478 2.672 20 0 DFADHP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)[C@@H]1CCC[NH3+] ZINC000662309898 431041937 /nfs/dbraw/zinc/04/19/37/431041937.db2.gz AHLSXGBUCHNABO-DNVCBOLYSA-N 2 3 301.478 2.672 20 0 DFADHP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(OCCN(C)C)cc1 ZINC000655805050 431155369 /nfs/dbraw/zinc/15/53/69/431155369.db2.gz AIHLBBCRLRTESN-XYJFISCASA-N 2 3 319.493 2.618 20 0 DFADHP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000650763534 431683781 /nfs/dbraw/zinc/68/37/81/431683781.db2.gz CVZOIMMPJIQXIG-MRXNPFEDSA-N 2 3 319.493 2.667 20 0 DFADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000647793591 431689368 /nfs/dbraw/zinc/68/93/68/431689368.db2.gz BCAZZKCTDXBIPA-OBVSXPTNSA-N 2 3 305.510 2.617 20 0 DFADHP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCNC1 ZINC000570199925 302561160 /nfs/dbraw/zinc/56/11/60/302561160.db2.gz FXQPSZUOTZSLFH-NVXWUHKLSA-N 2 3 321.534 2.938 20 0 DFADHP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC2)cc1 ZINC000422780479 296331918 /nfs/dbraw/zinc/33/19/18/296331918.db2.gz KDDZAPVIDUJVTJ-HOTGVXAUSA-N 2 3 319.493 2.623 20 0 DFADHP C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422889957 296351287 /nfs/dbraw/zinc/35/12/87/296351287.db2.gz RAJLCMJUSJJIFX-LMMKCTJWSA-N 2 3 315.505 2.875 20 0 DFADHP C[C@@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891027 296351473 /nfs/dbraw/zinc/35/14/73/296351473.db2.gz UKTMMCCVILLYIS-YSDSKTICSA-N 2 3 315.505 2.731 20 0 DFADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900923 296353092 /nfs/dbraw/zinc/35/30/92/296353092.db2.gz KIKKDOIAZAAFJI-XLIONFOSSA-N 2 3 315.505 2.876 20 0 DFADHP CSC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119894 296380733 /nfs/dbraw/zinc/38/07/33/296380733.db2.gz FAJCCXVHBPOORR-HOTGVXAUSA-N 2 3 313.555 2.714 20 0 DFADHP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309754142 543065298 /nfs/dbraw/zinc/06/52/98/543065298.db2.gz WRFPMLSSJZKESJ-IPMKNSEASA-N 2 3 301.478 2.758 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689843 428375733 /nfs/dbraw/zinc/37/57/33/428375733.db2.gz LWFPFIMMNXYTOI-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689843 428375739 /nfs/dbraw/zinc/37/57/39/428375739.db2.gz LWFPFIMMNXYTOI-HCXYKTFWSA-N 2 3 307.526 2.961 20 0 DFADHP NC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397636187 428512023 /nfs/dbraw/zinc/51/20/23/428512023.db2.gz PZKPHRXUWIHJQB-RTBURBONSA-N 2 3 301.478 2.616 20 0 DFADHP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478455 428546359 /nfs/dbraw/zinc/54/63/59/428546359.db2.gz VQDVMDHKUPBIGC-NTHMGXEOSA-N 2 3 313.489 2.770 20 0 DFADHP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423361931 429071511 /nfs/dbraw/zinc/07/15/11/429071511.db2.gz HDKUVJUIIJAEHF-MRRJBJDNSA-N 2 3 311.420 2.517 20 0 DFADHP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(OCCN(C)C)c1 ZINC000635009417 430196037 /nfs/dbraw/zinc/19/60/37/430196037.db2.gz YOWPUGAZWCWDMX-BQFCYCMXSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274750875 278341317 /nfs/dbraw/zinc/34/13/17/278341317.db2.gz HKHWQZYUMGCHFP-YLJYHZDGSA-N 2 3 313.489 2.749 20 0 DFADHP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274750875 278341319 /nfs/dbraw/zinc/34/13/19/278341319.db2.gz HKHWQZYUMGCHFP-YLJYHZDGSA-N 2 3 313.489 2.749 20 0 DFADHP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253112 430871316 /nfs/dbraw/zinc/87/13/16/430871316.db2.gz HDKUVJUIIJAEHF-DXCKQFNASA-N 2 3 311.420 2.517 20 0 DFADHP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3N)c2)CC1 ZINC000422740115 296324508 /nfs/dbraw/zinc/32/45/08/296324508.db2.gz MIOZGWMBKJHPEN-RTBURBONSA-N 2 3 301.478 2.888 20 0 DFADHP CCC1(C[NH2+][C@H](C)C2CNC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423004199 296366391 /nfs/dbraw/zinc/36/63/91/296366391.db2.gz OMYFWONKCWAAFU-QGZVFWFLSA-N 2 3 315.505 2.876 20 0 DFADHP CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305636 427395293 /nfs/dbraw/zinc/39/52/93/427395293.db2.gz BIBFVMIZBCIBEY-AEFFLSMTSA-N 2 3 302.466 2.513 20 0 DFADHP C[C@@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000297762016 427447745 /nfs/dbraw/zinc/44/77/45/427447745.db2.gz UZIHCOJYIXNNKI-KRWDZBQOSA-N 2 3 316.493 2.905 20 0 DFADHP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C[NH3+])CC1 ZINC000346684010 428274130 /nfs/dbraw/zinc/27/41/30/428274130.db2.gz GKPGAIRHORKMIT-UHFFFAOYSA-N 2 3 303.494 2.815 20 0 DFADHP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C[NH3+])CC1 ZINC000346684010 428274137 /nfs/dbraw/zinc/27/41/37/428274137.db2.gz GKPGAIRHORKMIT-UHFFFAOYSA-N 2 3 303.494 2.815 20 0 DFADHP C[C@@H]1C[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692776 428378191 /nfs/dbraw/zinc/37/81/91/428378191.db2.gz LQHKWOACJQAWPG-CEXWTWQISA-N 2 3 307.526 2.963 20 0 DFADHP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423453225 429090690 /nfs/dbraw/zinc/09/06/90/429090690.db2.gz AKAOSQIQWTZKMK-JZXOWHBKSA-N 2 3 319.493 2.795 20 0 DFADHP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423455601 429091231 /nfs/dbraw/zinc/09/12/31/429091231.db2.gz FPAKDPLPGZMNNK-XYJFISCASA-N 2 3 319.493 2.795 20 0 DFADHP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccc(OCCN(C)C)c1 ZINC000423485362 429096501 /nfs/dbraw/zinc/09/65/01/429096501.db2.gz RMMSDLVIEDKSLF-FUHWJXTLSA-N 2 3 319.493 2.810 20 0 DFADHP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC2=CC[NH2+]CC2)C3)cc1 ZINC000423334743 429066931 /nfs/dbraw/zinc/06/69/31/429066931.db2.gz FXPWPQZKCKQRGX-IHWFROFDSA-N 2 3 311.473 2.691 20 0 DFADHP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCC2=CC[NH2+]CC2)C3)cc1 ZINC000423334743 429066935 /nfs/dbraw/zinc/06/69/35/429066935.db2.gz FXPWPQZKCKQRGX-IHWFROFDSA-N 2 3 311.473 2.691 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000359799664 276110850 /nfs/dbraw/zinc/11/08/50/276110850.db2.gz NACFLYWGMPKBOB-APWZRJJASA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359799664 276110851 /nfs/dbraw/zinc/11/08/51/276110851.db2.gz NACFLYWGMPKBOB-APWZRJJASA-N 2 3 303.494 2.958 20 0 DFADHP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(OCCN(C)C)cc1 ZINC000635009653 430195689 /nfs/dbraw/zinc/19/56/89/430195689.db2.gz YSVUULIBVFPJTQ-JFIYKMOQSA-N 2 3 319.493 2.795 20 0 DFADHP CC(C)[NH2+]CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000582481434 430303696 /nfs/dbraw/zinc/30/36/96/430303696.db2.gz CBLHBFXOKXZKIN-PKOBYXMFSA-N 2 3 303.494 2.875 20 0 DFADHP CC[NH+](CC)CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000662260230 431020428 /nfs/dbraw/zinc/02/04/28/431020428.db2.gz INHYHRHATVCUSN-UHFFFAOYSA-N 2 3 315.505 2.886 20 0 DFADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953919 431422242 /nfs/dbraw/zinc/42/22/42/431422242.db2.gz LBSKBWVQBJHSTQ-KBAYOESNSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953919 431422249 /nfs/dbraw/zinc/42/22/49/431422249.db2.gz LBSKBWVQBJHSTQ-KBAYOESNSA-N 2 3 305.510 2.761 20 0 DFADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743572 300357810 /nfs/dbraw/zinc/35/78/10/300357810.db2.gz XDJOCOKMXQJOJH-MSOLQXFVSA-N 2 3 317.477 2.521 20 0 DFADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422718527 296321098 /nfs/dbraw/zinc/32/10/98/296321098.db2.gz PVYBKZBSOJFJDD-RTBURBONSA-N 2 3 319.493 2.767 20 0 DFADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422786481 296332606 /nfs/dbraw/zinc/33/26/06/296332606.db2.gz OYIYAAOZUACABV-APWZRJJASA-N 2 3 301.478 2.760 20 0 DFADHP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)CC1 ZINC000422810944 296337329 /nfs/dbraw/zinc/33/73/29/296337329.db2.gz VAAXREKSGHJIHR-OALUTQOASA-N 2 3 301.478 2.888 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422895639 296352238 /nfs/dbraw/zinc/35/22/38/296352238.db2.gz WLPBVQZQQAUUFV-MJGOQNOKSA-N 2 3 319.493 2.624 20 0 DFADHP C[C@H](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000297762020 427447146 /nfs/dbraw/zinc/44/71/46/427447146.db2.gz UZIHCOJYIXNNKI-QGZVFWFLSA-N 2 3 316.493 2.905 20 0 DFADHP CC(C)N1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298372207 427588520 /nfs/dbraw/zinc/58/85/20/427588520.db2.gz KSSGQQAOESEAOA-KRWDZBQOSA-N 2 3 316.493 2.760 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689846 428375665 /nfs/dbraw/zinc/37/56/65/428375665.db2.gz LWFPFIMMNXYTOI-NCXUSEDFSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689846 428375667 /nfs/dbraw/zinc/37/56/67/428375667.db2.gz LWFPFIMMNXYTOI-NCXUSEDFSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422804956 296336255 /nfs/dbraw/zinc/33/62/55/296336255.db2.gz IOLFSMTWIQUYHH-APWZRJJASA-N 2 3 301.478 2.760 20 0 DFADHP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)C1 ZINC000422868742 296347431 /nfs/dbraw/zinc/34/74/31/296347431.db2.gz VTWLPEVIWCDYSG-MNEFBYGVSA-N 2 3 301.478 2.888 20 0 DFADHP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)C1 ZINC000422868742 296347433 /nfs/dbraw/zinc/34/74/33/296347433.db2.gz VTWLPEVIWCDYSG-MNEFBYGVSA-N 2 3 301.478 2.888 20 0 DFADHP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000261552499 146239739 /nfs/dbraw/zinc/23/97/39/146239739.db2.gz RNXLMPRIRNDASO-AABGDIPYSA-N 2 3 313.489 2.757 20 0 DFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067080 148231444 /nfs/dbraw/zinc/23/14/44/148231444.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067080 148231449 /nfs/dbraw/zinc/23/14/49/148231449.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358067080 148231452 /nfs/dbraw/zinc/23/14/52/148231452.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP CC(C)[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358067080 148231455 /nfs/dbraw/zinc/23/14/55/148231455.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 2 3 303.494 2.957 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689845 428374953 /nfs/dbraw/zinc/37/49/53/428374953.db2.gz LWFPFIMMNXYTOI-MKXGPGLRSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@@H]1C[C@H](CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689845 428374958 /nfs/dbraw/zinc/37/49/58/428374958.db2.gz LWFPFIMMNXYTOI-MKXGPGLRSA-N 2 3 307.526 2.961 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359799669 276110747 /nfs/dbraw/zinc/11/07/47/276110747.db2.gz NACFLYWGMPKBOB-VQIMIIECSA-N 2 3 303.494 2.958 20 0 DFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359799669 276110748 /nfs/dbraw/zinc/11/07/48/276110748.db2.gz NACFLYWGMPKBOB-VQIMIIECSA-N 2 3 303.494 2.958 20 0 DFADHP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954181 431422659 /nfs/dbraw/zinc/42/26/59/431422659.db2.gz RFZHKUOPYBUCSD-NXHRZFHOSA-N 2 3 305.510 2.761 20 0 DFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000666954181 431422661 /nfs/dbraw/zinc/42/26/61/431422661.db2.gz RFZHKUOPYBUCSD-NXHRZFHOSA-N 2 3 305.510 2.761 20 0 DFADHP [NH3+][C@H]1CCC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000516743574 300358031 /nfs/dbraw/zinc/35/80/31/300358031.db2.gz XDJOCOKMXQJOJH-ROUUACIJSA-N 2 3 317.477 2.521 20 0 DFADHP [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422812760 296337579 /nfs/dbraw/zinc/33/75/79/296337579.db2.gz WWDYYXBDKIYXPA-RBUKOAKNSA-N 2 3 301.478 2.890 20 0 DFADHP C[C@H]([NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891025 296351640 /nfs/dbraw/zinc/35/16/40/296351640.db2.gz UKTMMCCVILLYIS-SQIBXOBRSA-N 2 3 315.505 2.731 20 0 DFADHP C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900921 296352975 /nfs/dbraw/zinc/35/29/75/296352975.db2.gz KIKKDOIAZAAFJI-PXNSSMCTSA-N 2 3 315.505 2.876 20 0 DFADHP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(OCCN(C)C)cc1 ZINC000423476635 296420035 /nfs/dbraw/zinc/42/00/35/296420035.db2.gz JEBWSIYUHBBHDO-WMZOPIPTSA-N 2 3 319.493 2.810 20 0 DFADHP C[N@H+](C[C@H]1CC12CCN(CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322053 150022980 /nfs/dbraw/zinc/02/29/80/150022980.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 3 305.510 2.667 20 0 DFADHP C[N@@H+](C[C@H]1CC12CCN(CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322053 150022982 /nfs/dbraw/zinc/02/29/82/150022982.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@H]1CC12CCN(CC[C@@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322053 150022986 /nfs/dbraw/zinc/02/29/86/150022986.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 3 305.510 2.667 20 0 DFADHP C[NH+](C[C@H]1CC12CCN(CC[C@@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322053 150022988 /nfs/dbraw/zinc/02/29/88/150022988.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@H]1CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371322053 150022991 /nfs/dbraw/zinc/02/29/91/150022991.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 3 305.510 2.667 20 0 DFADHP CN1CCC[C@H]1CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371322053 150022993 /nfs/dbraw/zinc/02/29/93/150022993.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 3 305.510 2.667 20 0 DFADHP C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000679723021 544905819 /nfs/dbraw/zinc/90/58/19/544905819.db2.gz JLWALJCNRBBGTP-BQFCYCMXSA-N 2 3 307.526 2.959 20 0 DFADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123031267 426410949 /nfs/dbraw/zinc/41/09/49/426410949.db2.gz OSNACBRMAHPODI-APWZRJJASA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123031267 426410950 /nfs/dbraw/zinc/41/09/50/426410950.db2.gz OSNACBRMAHPODI-APWZRJJASA-N 2 3 301.478 2.712 20 0 DFADHP CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297305643 427394838 /nfs/dbraw/zinc/39/48/38/427394838.db2.gz BIBFVMIZBCIBEY-SJLPKXTDSA-N 2 3 302.466 2.513 20 0 DFADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620180 427937395 /nfs/dbraw/zinc/93/73/95/427937395.db2.gz PUODEXNYOHJQKR-QFBILLFUSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620180 427937401 /nfs/dbraw/zinc/93/74/01/427937401.db2.gz PUODEXNYOHJQKR-QFBILLFUSA-N 2 3 301.478 2.712 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983820 428394354 /nfs/dbraw/zinc/39/43/54/428394354.db2.gz NSZVNWTZPNOWDB-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983820 428394360 /nfs/dbraw/zinc/39/43/60/428394360.db2.gz NSZVNWTZPNOWDB-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346983820 428394362 /nfs/dbraw/zinc/39/43/62/428394362.db2.gz NSZVNWTZPNOWDB-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346983820 428394367 /nfs/dbraw/zinc/39/43/67/428394367.db2.gz NSZVNWTZPNOWDB-IEBWSBKVSA-N 2 3 307.526 2.963 20 0 DFADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000415048717 428500371 /nfs/dbraw/zinc/50/03/71/428500371.db2.gz XGLHXPMNIYRZAB-JAZQRGJZSA-N 2 3 313.489 2.614 20 0 DFADHP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000415048721 428500856 /nfs/dbraw/zinc/50/08/56/428500856.db2.gz XGLHXPMNIYRZAB-OUUBHVDSSA-N 2 3 313.489 2.614 20 0 DFADHP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCNCC3)CC2)cc1 ZINC000397635480 428512417 /nfs/dbraw/zinc/51/24/17/428512417.db2.gz PNFCKUOSYAGNNX-LJQANCHMSA-N 2 3 301.478 2.630 20 0 DFADHP CC1CC[NH+](C[C@H]2CCCN(CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213086 428867243 /nfs/dbraw/zinc/86/72/43/428867243.db2.gz GYZLKCZXOASWEP-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213086 428867250 /nfs/dbraw/zinc/86/72/50/428867250.db2.gz GYZLKCZXOASWEP-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP CC1CCN(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213086 428867257 /nfs/dbraw/zinc/86/72/57/428867257.db2.gz GYZLKCZXOASWEP-IBGZPJMESA-N 2 3 307.526 2.820 20 0 DFADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876106 /nfs/dbraw/zinc/87/61/06/428876106.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876109 /nfs/dbraw/zinc/87/61/09/428876109.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876116 /nfs/dbraw/zinc/87/61/16/428876116.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876120 /nfs/dbraw/zinc/87/61/20/428876120.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 2 3 307.526 2.963 20 0 DFADHP c1ccc([C@@H]2C[C@@H](NCc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005866 430192918 /nfs/dbraw/zinc/19/29/18/430192918.db2.gz XAWMCHCDMNHBFY-FPOVZHCZSA-N 2 3 321.468 2.915 20 0 DFADHP [NH3+]CCC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000584100775 430459094 /nfs/dbraw/zinc/45/90/94/430459094.db2.gz DETBFTBXPWBQEF-IBGZPJMESA-N 2 3 301.478 2.931 20 0 DFADHP CC1CCN(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298540440 278539807 /nfs/dbraw/zinc/53/98/07/278539807.db2.gz SXUGKGOXWGKLPF-UHFFFAOYSA-N 2 3 316.493 2.762 20 0 DFADHP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340859 431025434 /nfs/dbraw/zinc/02/54/34/431025434.db2.gz JRSYSIYUVVZUIX-OALUTQOASA-N 2 3 313.489 2.544 20 0 DFADHP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)CNCC2 ZINC000652340859 431025441 /nfs/dbraw/zinc/02/54/41/431025441.db2.gz JRSYSIYUVVZUIX-OALUTQOASA-N 2 3 313.489 2.544 20 0 DFADHP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420311578 296173537 /nfs/dbraw/zinc/17/35/37/296173537.db2.gz HEEXICYZOVKXRI-MOPGFXCFSA-N 2 3 307.526 2.964 20 0 DFADHP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422718522 296320987 /nfs/dbraw/zinc/32/09/87/296320987.db2.gz PVYBKZBSOJFJDD-MOPGFXCFSA-N 2 3 319.493 2.767 20 0 DFADHP NC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823873 296339571 /nfs/dbraw/zinc/33/95/71/296339571.db2.gz FIOVAMJXMRBDBU-DOTOQJQBSA-N 2 3 307.507 2.677 20 0 DFADHP NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422823876 296339578 /nfs/dbraw/zinc/33/95/78/296339578.db2.gz FIOVAMJXMRBDBU-RDJZCZTQSA-N 2 3 307.507 2.677 20 0 DFADHP CSC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC[NH+](C)CC1 ZINC000423119892 296380761 /nfs/dbraw/zinc/38/07/61/296380761.db2.gz FAJCCXVHBPOORR-CVEARBPZSA-N 2 3 313.555 2.714 20 0 DFADHP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(OCCN(C)C)cc1 ZINC000423213661 296393174 /nfs/dbraw/zinc/39/31/74/296393174.db2.gz KITVSSCLMACMCL-ODIFPOPNSA-N 2 3 305.466 2.548 20 0 DFADHP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000423234604 296395223 /nfs/dbraw/zinc/39/52/23/296395223.db2.gz MCOHKDRMYCFWTF-XBMUEBEBSA-N 2 3 301.478 2.771 20 0 DFADHP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000423234604 296395224 /nfs/dbraw/zinc/39/52/24/296395224.db2.gz MCOHKDRMYCFWTF-XBMUEBEBSA-N 2 3 301.478 2.771 20 0 DFADHP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423256239 296397388 /nfs/dbraw/zinc/39/73/88/296397388.db2.gz DQIWMFOQWJHWGC-SJORKVTESA-N 2 3 319.493 2.667 20 0 DFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339066867 543139416 /nfs/dbraw/zinc/13/94/16/543139416.db2.gz IIMMSLGFPOJFIV-MOPGFXCFSA-N 2 3 307.526 2.961 20 0 DFADHP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000126169362 426008044 /nfs/dbraw/zinc/00/80/44/426008044.db2.gz UUVNYGQDERESDJ-INIZCTEOSA-N 2 3 319.493 2.619 20 0 DFADHP CNC[C@H](C)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423278203 429055549 /nfs/dbraw/zinc/05/55/49/429055549.db2.gz QTUKYKZFNPBDBE-IVMQYODDSA-N 2 3 303.494 2.875 20 0 DFADHP CNC[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423278203 429055551 /nfs/dbraw/zinc/05/55/51/429055551.db2.gz QTUKYKZFNPBDBE-IVMQYODDSA-N 2 3 303.494 2.875 20 0 DFADHP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423329610 429064585 /nfs/dbraw/zinc/06/45/85/429064585.db2.gz MXXWVFOVIPPVEQ-INIZCTEOSA-N 2 3 319.493 2.667 20 0 DFADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658355917 430885199 /nfs/dbraw/zinc/88/51/99/430885199.db2.gz LPBRKPKUDYRUJM-UHFFFAOYSA-N 2 3 307.526 2.961 20 0 DFADHP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CC[C@H]12 ZINC000647788738 431687494 /nfs/dbraw/zinc/68/74/94/431687494.db2.gz POWAZNGQODISBX-JFIYKMOQSA-N 2 3 305.510 2.761 20 0 DFADHP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000574530686 318022964 /nfs/dbraw/zinc/02/29/64/318022964.db2.gz DCXYLOYDDSHBOS-ZWKOTPCHSA-N 2 3 319.493 2.767 20 0 DFADHP